A0A3Q0KKS8_SCHMA Loading...

Ubiquitin-associated domain-containing protein 2

AlphaFold DB , UniProt , Accession A0A3Q0KKS8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 274 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32.1Very low50.4Low242 Ų24298.2 Ų98.2100%1.19256%0.561SS**  0117.90-64.9176.9171.200107.4A3M1-A3 PolarHBondContact O-N 3.08Å
2L36.7Very low52.2Low163 Ų163102.2 Ų102.285%0.85357%0.567SS**  trans-61.8106.7177.2-79157.4000107.6P4L2-P4 VanDerWaalsContact O-CD 3.24Å; L2-P4 WeakPolarHBondContact O-CD 3.37Å
3A39Very low54.3Low76 Ų7694.3 Ų94.363%0.62852%0.523SS*.  trans-51.5113.3167.900000105.8M1 Q5M1-A3 PolarHBondContact O-N 3.08Å; A3-Q5 PolarHBondContact O-N 2.84Å
4P45.1Very low56.3Low111 Ų11190.6 Ų90.672%0.72151%0.505SS*.  trans-56.9127.5176.923.4-30000104.4L2 S6L2-P4 VanDerWaalsContact O-CD 3.24Å; L2-P4 WeakPolarHBondContact O-CD 3.37Å; P4-S6 PolarHBondContact O-N 2.9Å
5Q44.7Very low58.1Low145 Ų14586.3 Ų86.368%0.67848%0.481SS*.  trans-65.742.1170.4-66.6-162.8-13.500110.8A3 H7A3-Q5 PolarHBondContact O-N 2.84Å; Q5-H7 PolarHBondContact O-N 2.96Å
6S49.1Very low59.9Low74 Ų7481.2 Ų81.252%0.51745%0.453SS..  trans-82.677.1174.8-154.60000106.3P4 S8P4-S6 PolarHBondContact O-N 2.9Å; S6-S8 PolarHBondContact O-N 2.67Å
7H50.8Low61.4Low62 Ų6279.2 Ų79.229%0.28744%0.439SS..  trans-5593.4137.9-67.7-65.6000106.4Q5 Y11 R85 Y226Q5-H7 PolarHBondContact O-N 2.96Å; H7-Y11 HydrophobicContact CB-CD1 4.19Å; H7-Y11 AromaticContact CE1-CD1 3.97Å; H7-Y11 AromaticContact CE1-CE1 3.93Å; H7-Y11 AromaticContact CG-CD1 3.82Å; H7-Y11 AromaticContact ND1-CD1 3.54Å; H7-Y11 AromaticContact ND1-CE1 3.93Å; H7-R85 PolarHBondContact O-NH1 2.84Å; H7-R85 PolarHBondContact O-NH2 3.31Å; H7-R85 VanDerWaalsContact O-NH2 3.11Å; H7-Y226 WeakPolarHBondContact CA-OH 3.47Å; H7-Y226 PolarHBondContact ND1-OH 2.94Å
8S56.7Low62.7Low93 Ų9376.7 Ų76.765%0.6543%0.427SS*.  trans-58.2137.4175.6-175.80000108.7S6S6-S8 PolarHBondContact O-N 2.67Å
9G64.9Low64Low26 Ų2674.4 Ų74.427%0.26841%0.412SS..SBendtrans71.9-170.2-178.600000114.8Y11 R81 R85G9-Y11 PolarHBondContact O-N 2.99Å; G9-Y11 VanDerWaalsContact O-N 3.09Å; G9-R81 PolarHBondContact O-NH1 3.49Å; G9-R81 PolarHBondContact O-NH2 2.78Å; G9-R85 PolarHBondContact O-NH2 2.91Å
10F68.6Low65.2Low55 Ų5572.4 Ų72.424%0.24140%0.4CS..SBendtrans-8130.3-171-68.5-88.5000115K12 T13 K17 L20 Y78F10-K12 PolarHBondContact O-N 2.95Å; F10-T13 VanDerWaalsContact CA-OG1 3.28Å; F10-T13 WeakPolarHBondContact CA-OG1 3.44Å; F10-T13 PolarHBondContact O-N 3.47Å; F10-T13 PolarHBondContact O-OG1 3.05Å; F10-K17 HydrophobicContact CB-CB 4.38Å; F10-K17 HydrophobicContact CB-CD 3.87Å; F10-K17 HydrophobicContact CB-CG 4.28Å; F10-K17 HydrophobicContact CD1-CB 3.86Å; F10-K17 HydrophobicContact CD1-CG 4.14Å; F10-K17 HydrophobicContact CE1-CB 4.44Å; F10-K17 HydrophobicContact CG-CB 4.29Å; F10-K17 HydrophobicContact CG-CD 4.24Å; F10-K17 HydrophobicContact CG-CG 4.15Å; F10-L20 HydrophobicContact CE1-CD1 4.31Å; F10-L20 HydrophobicContact CZ-CD1 4.1Å; F10-Y78 AromaticContact CE1-CD2 3.98Å; F10-Y78 HydrophobicContact CE1-CD2 3.98Å; F10-Y78 HydrophobicContact CE1-CE2 4.46Å; F10-Y78 HydrophobicContact CE2-CD2 4.23Å; F10-Y78 HydrophobicContact CE2-CE2 4.21Å; F10-Y78 AromaticContact CZ-CD2 3.65Å; F10-Y78 HydrophobicContact CZ-CD2 3.65Å; F10-Y78 HydrophobicContact CZ-CE2 4.07Å
11Y67.1Low66.2Low33 Ų3370.7 Ų70.713%0.12940%0.396CS..THydrogen-bonded Turntrans-64.1132.6177.7-176.5-113.7000111.1H7 G9 T13 R85 A223 I227H7-Y11 HydrophobicContact CB-CD1 4.19Å; H7-Y11 AromaticContact CE1-CD1 3.97Å; H7-Y11 AromaticContact CE1-CE1 3.93Å; H7-Y11 AromaticContact CG-CD1 3.82Å; H7-Y11 AromaticContact ND1-CD1 3.54Å; H7-Y11 AromaticContact ND1-CE1 3.93Å; G9-Y11 PolarHBondContact O-N 2.99Å; G9-Y11 VanDerWaalsContact O-N 3.09Å; Y11-T13 VanDerWaalsContact C-N 3.25Å; Y11-T13 WeakPolarHBondContact O-CG2 3.28Å; Y11-T13 PolarHBondContact O-N 3.29Å; Y11-R85 PolarHBondContact O-NE 3Å; Y11-R85 PolarHBondContact O-NH2 3.18Å; Y11-A223 VanDerWaalsContact CE2-CA 3.42Å; Y11-A223 HydrophobicContact CE2-CB 3.94Å; Y11-I227 HydrophobicContact CE1-CD1 3.72Å
12K71.9Confident68.9Low146 Ų14664 Ų6464%0.63536%0.36SS*.THydrogen-bonded Turntrans55.927-176.7-68.1-176.4175.9-177.70115.7F10F10-K12 PolarHBondContact O-N 2.95Å
13T79.8Confident71.2Confident0 Ų056.3 Ų56.30%032%0.32CS..  trans-131.159.1-176.558.70000111.2F10 Y11 K17 R81 E84 R85F10-T13 VanDerWaalsContact CA-OG1 3.28Å; F10-T13 WeakPolarHBondContact CA-OG1 3.44Å; F10-T13 PolarHBondContact O-N 3.47Å; F10-T13 PolarHBondContact O-OG1 3.05Å; Y11-T13 VanDerWaalsContact C-N 3.25Å; Y11-T13 WeakPolarHBondContact O-CG2 3.28Å; Y11-T13 PolarHBondContact O-N 3.29Å; T13-K17 VanDerWaalsContact O-CB 3.23Å; T13-K17 WeakPolarHBondContact O-CB 3.32Å; T13-K17 PolarHBondContact O-N 3.49Å; T13-K17 VanDerWaalsContact O-N 3.17Å; T13-R81 VanDerWaalsContact CB-CG 3.5Å; T13-R81 HydrophobicContact CG2-CG 3.2Å; T13-R81 WeakPolarHBondContact OG1-CD 3.43Å; T13-E84 VanDerWaalsContact C-OE1 3.31Å; T13-E84 WeakPolarHBondContact CA-OE1 3.22Å; T13-E84 WeakPolarHBondContact CA-OE2 3.37Å; T13-E84 WeakPolarHBondContact CB-OE2 3.5Å; T13-E84 HydrophobicContact CG2-CB 4.49Å; T13-R85 HydrophobicContact CG2-CG 3.45Å; T13-R85 VanDerWaalsContact CG2-CG 3.45Å
14T81.9Confident73.5Confident43 Ų4355.5 Ų55.526%0.26431%0.307SS..Hα-helixtrans-67.9-38.5-172.4-51.40000111.4K17 C18 E84 I215 L219T14-K17 PolarHBondContact O-N 3.49Å; T14-C18 WeakPolarHBondContact O-CB 3.25Å; T14-C18 PolarHBondContact O-N 3.26Å; T14-C18 PolarHBondContact O-SG 3.13Å; T14-C18 VanDerWaalsContact O-SG 3.32Å; T14-E84 PolarHBondContact N-OE1 3.43Å; T14-E84 VanDerWaalsContact N-OE1 3.1Å; T14-I215 HydrophobicContact CG2-CG2 3.55Å; T14-L219 HydrophobicContact CG2-CB 4.32Å; T14-L219 HydrophobicContact CG2-CD2 4.42Å
15V83.1Confident75.5Confident26 Ų2655.2 Ų55.216%0.15830%0.299CS..Hα-helixtrans-69.5-50.1-176.4179.60000110.5K17 C18 F19 E84 S89 F92 L93 L96V15-K17 VanDerWaalsContact C-N 3.27Å; V15-K17 PolarHBondContact O-N 3.37Å; V15-C18 WeakPolarHBondContact O-CB 3.36Å; V15-C18 PolarHBondContact O-N 3.04Å; V15-F19 VanDerWaalsContact O-CB 3.28Å; V15-F19 WeakPolarHBondContact O-CB 3.3Å; V15-F19 PolarHBondContact O-N 2.89Å; V15-E84 VanDerWaalsContact CB-OE1 3.28Å; V15-E84 WeakPolarHBondContact CB-OE1 3.42Å; V15-E84 WeakPolarHBondContact CG2-OE1 3.39Å; V15-E84 PolarHBondContact N-OE1 3.48Å; V15-S89 WeakPolarHBondContact CG2-OG 3.32Å; V15-F92 HydrophobicContact CB-CD1 4.2Å; V15-F92 HydrophobicContact CB-CE1 4.43Å; V15-F92 HydrophobicContact CG1-CD1 4.06Å; V15-F92 HydrophobicContact CG1-CE1 4.14Å; V15-L93 HydrophobicContact CG1-CD1 4.15Å; V15-L96 HydrophobicContact CG1-CD1 4.04Å
16T87Confident77.4Confident4 Ų450.2 Ų50.23%0.02528%0.275CS..Hα-helixtrans-62.9-37177.3-61.40000111.1F19 L20 L77 R81 E84 F92T16-F19 PolarHBondContact O-N 3.34Å; T16-L20 WeakPolarHBondContact O-CB 3.37Å; T16-L20 PolarHBondContact O-N 3.3Å; T16-L77 WeakPolarHBondContact CG2-O 3.23Å; T16-R81 HydrophobicContact CG2-CB 4.15Å; T16-R81 HydrophobicContact CG2-CG 4.35Å; T16-E84 VanDerWaalsContact CB-OE2 3.32Å; T16-E84 WeakPolarHBondContact CB-OE2 3.43Å; T16-E84 PolarHBondContact N-OE2 3.2Å; T16-E84 PolarHBondContact OG1-OE2 3.43Å; T16-E84 VanDerWaalsContact OG1-OE2 3.05Å; T16-F92 WeakPolarHBondContact OG1-CE1 3.35Å
17K85.7Confident79.1Confident48 Ų4846.9 Ų46.921%0.20925%0.252CS..Hα-helixtrans-64.9-45.8176.7-171.4-178174.2-170.90111.9F10 T13 T14 V15 A21 L219 T221F10-K17 HydrophobicContact CB-CB 4.38Å; F10-K17 HydrophobicContact CB-CD 3.87Å; F10-K17 HydrophobicContact CB-CG 4.28Å; F10-K17 HydrophobicContact CD1-CB 3.86Å; F10-K17 HydrophobicContact CD1-CG 4.14Å; F10-K17 HydrophobicContact CE1-CB 4.44Å; F10-K17 HydrophobicContact CG-CB 4.29Å; F10-K17 HydrophobicContact CG-CD 4.24Å; F10-K17 HydrophobicContact CG-CG 4.15Å; T13-K17 VanDerWaalsContact O-CB 3.23Å; T13-K17 WeakPolarHBondContact O-CB 3.32Å; T13-K17 PolarHBondContact O-N 3.49Å; T13-K17 VanDerWaalsContact O-N 3.17Å; T14-K17 PolarHBondContact O-N 3.49Å; V15-K17 VanDerWaalsContact C-N 3.27Å; V15-K17 PolarHBondContact O-N 3.37Å; K17-A21 WeakPolarHBondContact O-CB 3.36Å; K17-A21 PolarHBondContact O-N 3.35Å; K17-L219 HydrophobicContact CB-CD2 3.93Å; K17-L219 HydrophobicContact CD-CD2 3.77Å; K17-L219 HydrophobicContact CD-CG 3.74Å; K17-L219 HydrophobicContact CG-CD2 3.72Å; K17-L219 HydrophobicContact CG-CG 4.16Å; K17-L219 PolarHBondContact NZ-O 3.39Å; K17-T221 PolarHBondContact NZ-OG1 3.26Å
18C85.3Confident80.6Confident34 Ų3451.2 Ų51.223%0.2327%0.27CS..Hα-helixtrans-57.3-50.5172.7-79.20000111.5T14 V15 L20 A21 F22 I215 L219T14-C18 WeakPolarHBondContact O-CB 3.25Å; T14-C18 PolarHBondContact O-N 3.26Å; T14-C18 PolarHBondContact O-SG 3.13Å; T14-C18 VanDerWaalsContact O-SG 3.32Å; V15-C18 WeakPolarHBondContact O-CB 3.36Å; V15-C18 PolarHBondContact O-N 3.04Å; C18-L20 PolarHBondContact O-N 3.28Å; C18-A21 PolarHBondContact O-N 3.36Å; C18-F22 WeakPolarHBondContact O-CB 3.5Å; C18-F22 PolarHBondContact O-N 3.09Å; C18-I215 WeakPolarHBondContact SG-CG2 3.05Å; C18-L219 HydrophobicContact CB-CD2 4.31Å; C18-L219 WeakPolarHBondContact SG-CD2 3.41Å
19F86.6Confident81.9Confident32 Ų3251.3 Ų51.314%0.1426%0.262CS..Hα-helixtrans-63.6-44.8-174.6-172.8-105.4000111.5V15 T16 S23 L62 L77 P128 L131V15-F19 VanDerWaalsContact O-CB 3.28Å; V15-F19 WeakPolarHBondContact O-CB 3.3Å; V15-F19 PolarHBondContact O-N 2.89Å; T16-F19 PolarHBondContact O-N 3.34Å; F19-S23 VanDerWaalsContact O-CB 3.26Å; F19-S23 WeakPolarHBondContact O-CB 3.29Å; F19-S23 PolarHBondContact O-N 3.29Å; F19-L62 HydrophobicContact CE2-CD2 4.2Å; F19-L77 HydrophobicContact CD1-CD1 3.72Å; F19-L77 HydrophobicContact CD1-CD2 3.79Å; F19-L77 HydrophobicContact CD1-CG 4.4Å; F19-L77 HydrophobicContact CE1-CD1 3.73Å; F19-L77 HydrophobicContact CE1-CD2 3.77Å; F19-L77 HydrophobicContact CE1-CG 4.41Å; F19-P128 HydrophobicContact CE1-CB 3.84Å; F19-P128 HydrophobicContact CE1-CG 4.13Å; F19-P128 HydrophobicContact CZ-CB 3.46Å; F19-P128 VanDerWaalsContact CZ-CB 3.46Å; F19-P128 HydrophobicContact CZ-CG 4.09Å; F19-L131 HydrophobicContact CE1-CD1 4.25Å; F19-L131 HydrophobicContact CE2-CD1 3.73Å; F19-L131 HydrophobicContact CZ-CD1 3.41Å; F19-L131 VanDerWaalsContact CZ-CD1 3.41Å
20L87.8Confident82.3Confident34 Ų3450.7 Ų50.718%0.17825%0.253CS..Hα-helixtrans-64-48.8175.3-169161.4000111F10 T16 C18 F22 S23 V24 L77F10-L20 HydrophobicContact CE1-CD1 4.31Å; F10-L20 HydrophobicContact CZ-CD1 4.1Å; T16-L20 WeakPolarHBondContact O-CB 3.37Å; T16-L20 PolarHBondContact O-N 3.3Å; C18-L20 PolarHBondContact O-N 3.28Å; L20-F22 VanDerWaalsContact C-N 3.33Å; L20-F22 PolarHBondContact O-N 3.14Å; L20-S23 PolarHBondContact O-N 2.67Å; L20-V24 HydrophobicContact CD2-CG2 3.8Å; L20-V24 WeakPolarHBondContact O-CB 3.23Å; L20-V24 VanDerWaalsContact O-CG2 3.27Å; L20-V24 WeakPolarHBondContact O-CG2 3.29Å; L20-V24 PolarHBondContact O-N 3.07Å; L20-L77 HydrophobicContact CD1-CB 4.47Å
21A87.3Confident82.7Confident37 Ų3752.3 Ų52.331%0.30626%0.263SS..Hα-helixtrans-60.3-44.2179.100000111.7K17 C18 V24 I25K17-A21 WeakPolarHBondContact O-CB 3.36Å; K17-A21 PolarHBondContact O-N 3.35Å; C18-A21 PolarHBondContact O-N 3.36Å; A21-V24 PolarHBondContact O-N 3.07Å; A21-I25 WeakPolarHBondContact O-CB 3.42Å; A21-I25 WeakPolarHBondContact O-CD1 3.27Å; A21-I25 WeakPolarHBondContact O-CG1 3.45Å; A21-I25 PolarHBondContact O-N 3.45Å
22F87Confident83.1Confident101 Ų10155.4 Ų55.444%0.44328%0.28SS..Hα-helixtrans-63.8-47.3177.6-173.9-91.9000111.2C18 L20 V24 I25 F26 L62C18-F22 WeakPolarHBondContact O-CB 3.5Å; C18-F22 PolarHBondContact O-N 3.09Å; L20-F22 VanDerWaalsContact C-N 3.33Å; L20-F22 PolarHBondContact O-N 3.14Å; F22-V24 PolarHBondContact O-N 3.04Å; F22-I25 PolarHBondContact O-N 2.94Å; F22-F26 HydrophobicContact CE1-CB 4.49Å; F22-F26 HydrophobicContact CE1-CG 4.44Å; F22-F26 HydrophobicContact CZ-CD2 4.45Å; F22-F26 WeakPolarHBondContact O-CB 3.34Å; F22-F26 PolarHBondContact O-N 3.18Å; F22-L62 HydrophobicContact CD1-CB 4.49Å; F22-L62 HydrophobicContact CD1-CD2 4.1Å; F22-L62 HydrophobicContact CE1-CB 3.97Å; F22-L62 HydrophobicContact CE1-CD1 3.77Å; F22-L62 HydrophobicContact CE1-CD2 3.94Å; F22-L62 HydrophobicContact CE1-CG 4.09Å; F22-L62 HydrophobicContact CZ-CD1 4.4Å
23S86.1Confident82.7Confident3 Ų354 Ų542%0.02129%0.285CS..Hα-helixtrans-61.4-43.1178-170.10000111.8F19 L20 S27 L62 F64F19-S23 VanDerWaalsContact O-CB 3.26Å; F19-S23 WeakPolarHBondContact O-CB 3.29Å; F19-S23 PolarHBondContact O-N 3.29Å; L20-S23 PolarHBondContact O-N 2.67Å; S23-S27 VanDerWaalsContact O-CB 3.25Å; S23-S27 WeakPolarHBondContact O-CB 3.45Å; S23-S27 PolarHBondContact O-N 2.92Å; S23-S27 PolarHBondContact O-OG 2.89Å; S23-L62 PolarHBondContact OG-O 3.25Å; S23-F64 WeakPolarHBondContact OG-CD2 3.22Å; S23-F64 VanDerWaalsContact OG-CE2 3.29Å; S23-F64 WeakPolarHBondContact OG-CE2 3.21Å
24V87.1Confident81.8Confident59 Ų5962.2 Ų62.236%0.35832%0.322SS..Hα-helixtrans-65.5-48.9177.4171.70000112.2L20 A21 F22 F26 S27 F28 L70L20-V24 HydrophobicContact CD2-CG2 3.8Å; L20-V24 WeakPolarHBondContact O-CB 3.23Å; L20-V24 VanDerWaalsContact O-CG2 3.27Å; L20-V24 WeakPolarHBondContact O-CG2 3.29Å; L20-V24 PolarHBondContact O-N 3.07Å; A21-V24 PolarHBondContact O-N 3.07Å; F22-V24 PolarHBondContact O-N 3.04Å; V24-F26 VanDerWaalsContact C-N 3.3Å; V24-F26 PolarHBondContact O-N 3.16Å; V24-S27 PolarHBondContact O-N 2.87Å; V24-F28 WeakPolarHBondContact O-CB 3.27Å; V24-F28 PolarHBondContact O-N 2.91Å; V24-L70 HydrophobicContact CG2-CD1 4.07Å
25I87.9Confident80.7Confident104 Ų10461.2 Ų61.253%0.53332%0.316SS..Hα-helixtrans-60.5-44.9179-69.7166000109.8A21 F22 F28 I29A21-I25 WeakPolarHBondContact O-CB 3.42Å; A21-I25 WeakPolarHBondContact O-CD1 3.27Å; A21-I25 WeakPolarHBondContact O-CG1 3.45Å; A21-I25 PolarHBondContact O-N 3.45Å; F22-I25 PolarHBondContact O-N 2.94Å; I25-F28 PolarHBondContact O-N 2.97Å; I25-I29 HydrophobicContact CG2-CD1 3.76Å; I25-I29 HydrophobicContact CG2-CG1 4.49Å; I25-I29 VanDerWaalsContact O-CG1 3.25Å; I25-I29 WeakPolarHBondContact O-CG1 3.35Å; I25-I29 PolarHBondContact O-N 3.45Å
26F83.6Confident79.3Confident41 Ų4169.6 Ų69.618%0.1835%0.351CS..Hα-helixtrans-69.2-42-177.5-155.3-117.5000112.2F22 V24 F28 I29 L30 F41 L62 P63F22-F26 HydrophobicContact CE1-CB 4.49Å; F22-F26 HydrophobicContact CE1-CG 4.44Å; F22-F26 HydrophobicContact CZ-CD2 4.45Å; F22-F26 WeakPolarHBondContact O-CB 3.34Å; F22-F26 PolarHBondContact O-N 3.18Å; V24-F26 VanDerWaalsContact C-N 3.3Å; V24-F26 PolarHBondContact O-N 3.16Å; F26-F28 VanDerWaalsContact C-N 3.34Å; F26-F28 PolarHBondContact O-N 3.28Å; F26-I29 PolarHBondContact O-N 3.22Å; F26-L30 HydrophobicContact CD1-CD1 4.27Å; F26-L30 HydrophobicContact CE1-CD1 4.16Å; F26-L30 WeakPolarHBondContact O-CG 3.39Å; F26-L30 PolarHBondContact O-N 3.34Å; F26-F41 HydrophobicContact CE1-CD1 4.01Å; F26-F41 AromaticContact CE1-CE1 3.33Å; F26-F41 HydrophobicContact CE1-CE1 3.33Å; F26-F41 HydrophobicContact CE1-CE2 4.5Å; F26-F41 AromaticContact CE1-CZ 3.63Å; F26-F41 HydrophobicContact CE1-CZ 3.63Å; F26-F41 AromaticContact CZ-CE1 3.54Å; F26-F41 HydrophobicContact CZ-CE1 3.54Å; F26-F41 HydrophobicContact CZ-CE2 4.31Å; F26-F41 AromaticContact CZ-CZ 3.37Å; F26-F41 HydrophobicContact CZ-CZ 3.37Å; F26-L62 HydrophobicContact CD1-CB 4.35Å; F26-P63 HydrophobicContact CD1-CB 3.59Å; F26-P63 HydrophobicContact CD1-CG 3.61Å; F26-P63 HydrophobicContact CE1-CB 4.25Å; F26-P63 HydrophobicContact CE1-CG 3.77Å
27S84.1Confident77.9Confident4 Ų477.4 Ų77.43%0.02838%0.38CS..Hα-helixtrans-59.2-42.4170.6-78.20000112.5S23 V24 L30 L31 F64S23-S27 VanDerWaalsContact O-CB 3.25Å; S23-S27 WeakPolarHBondContact O-CB 3.45Å; S23-S27 PolarHBondContact O-N 2.92Å; S23-S27 PolarHBondContact O-OG 2.89Å; V24-S27 PolarHBondContact O-N 2.87Å; S27-L30 PolarHBondContact O-N 3.42Å; S27-L31 WeakPolarHBondContact O-CB 3.18Å; S27-L31 PolarHBondContact O-N 3.29Å; S27-F64 WeakPolarHBondContact CB-O 3.21Å; S27-F64 WeakPolarHBondContact OG-CA 3.44Å; S27-F64 PolarHBondContact OG-N 3.25Å; S27-F64 PolarHBondContact OG-O 2.96Å
28F83.6Confident76.4Confident153 Ų15379.2 Ų79.267%0.67139%0.388SS*.Hα-helixtrans-64.8-42.5178.5-169.5-99.4000111.9V24 I25 F26 L30 L31 M32V24-F28 WeakPolarHBondContact O-CB 3.27Å; V24-F28 PolarHBondContact O-N 2.91Å; I25-F28 PolarHBondContact O-N 2.97Å; F26-F28 VanDerWaalsContact C-N 3.34Å; F26-F28 PolarHBondContact O-N 3.28Å; F28-L30 VanDerWaalsContact C-N 3.31Å; F28-L30 PolarHBondContact O-N 3.08Å; F28-L31 PolarHBondContact O-N 2.99Å; F28-M32 PolarHBondContact O-N 3.38Å; F28-M32 VanDerWaalsContact O-N 3.16Å
29I82.7Confident75.1Confident94 Ų9483.4 Ų83.448%0.48241%0.408SS..Hα-helixtrans-60.4-40.7175.2-69.6165.9000111.2I25 F26 M32I25-I29 HydrophobicContact CG2-CD1 3.76Å; I25-I29 HydrophobicContact CG2-CG1 4.49Å; I25-I29 VanDerWaalsContact O-CG1 3.25Å; I25-I29 WeakPolarHBondContact O-CG1 3.35Å; I25-I29 PolarHBondContact O-N 3.45Å; F26-I29 PolarHBondContact O-N 3.22Å; I29-M32 WeakPolarHBondContact O-CB 3.24Å; I29-M32 PolarHBondContact O-N 3.25Å
30L74.9Confident73.7Confident14 Ų1485 Ų857%0.07342%0.417CS..Hα-helixtrans-77.1-30.3-179.8-69.3-178.2000114.1F26 S27 F28 M32 K38 F41 P63F26-L30 HydrophobicContact CD1-CD1 4.27Å; F26-L30 HydrophobicContact CE1-CD1 4.16Å; F26-L30 WeakPolarHBondContact O-CG 3.39Å; F26-L30 PolarHBondContact O-N 3.34Å; S27-L30 PolarHBondContact O-N 3.42Å; F28-L30 VanDerWaalsContact C-N 3.31Å; F28-L30 PolarHBondContact O-N 3.08Å; L30-M32 PolarHBondContact O-N 3.18Å; L30-K38 WeakPolarHBondContact O-CE 3.3Å; L30-F41 HydrophobicContact CD1-CB 4.11Å; L30-F41 HydrophobicContact CD1-CD1 4.13Å; L30-F41 HydrophobicContact CD1-CD2 3.58Å; L30-F41 HydrophobicContact CD1-CE2 4.04Å; L30-F41 HydrophobicContact CD1-CG 3.64Å; L30-F41 HydrophobicContact CD2-CD2 3.55Å; L30-F41 HydrophobicContact CD2-CE2 3.59Å; L30-F41 HydrophobicContact CD2-CG 4.45Å; L30-F41 HydrophobicContact CG-CD2 4.24Å; L30-F41 HydrophobicContact CG-CE2 4.43Å; L30-P63 HydrophobicContact CD1-CB 3.56Å; L30-P63 HydrophobicContact CD1-CG 3.46Å; L30-P63 VanDerWaalsContact CD1-CG 3.46Å
31L75.4Confident72.2Confident88 Ų8884.4 Ų84.446%0.46141%0.413SS..Hα-helixtrans-70.9-23.5174.3-171.660.6000111.7S27 F28S27-L31 WeakPolarHBondContact O-CB 3.18Å; S27-L31 PolarHBondContact O-N 3.29Å; F28-L31 PolarHBondContact O-N 2.99Å
32M76.7Confident71Confident99 Ų9984.6 Ų84.649%0.48841%0.41SS..SBendtrans-57.6134177.5-161.7-177.7-171.400111.2F28 I29 L30 F34 S35F28-M32 PolarHBondContact O-N 3.38Å; F28-M32 VanDerWaalsContact O-N 3.16Å; I29-M32 WeakPolarHBondContact O-CB 3.24Å; I29-M32 PolarHBondContact O-N 3.25Å; L30-M32 PolarHBondContact O-N 3.18Å; M32-F34 HydrophobicContact CE-CD2 3.82Å; M32-F34 HydrophobicContact CE-CE2 4.23Å; M32-F34 HydrophobicContact CG-CD2 4.26Å; M32-F34 PolarHBondContact O-N 3.27Å; M32-F34 HydrophobicContact SD-CD2 4.34Å; M32-S35 PolarHBondContact O-N 2.9Å
33P63.9Low69.9Low115 Ų11580 Ų8075%0.74739%0.39SS*.THydrogen-bonded Turntrans-60.9-19.9-173.922.2-34.8000114.8S35P33-S35 VanDerWaalsContact C-N 3.26Å; P33-S35 PolarHBondContact O-N 3.39Å
34F60.5Low68.9Low174 Ų17482 Ų8276%0.76340%0.401SS*.THydrogen-bonded Turntrans-76-9.2178.1-68.8-83.3000114.1M32 K36M32-F34 HydrophobicContact CE-CD2 3.82Å; M32-F34 HydrophobicContact CE-CE2 4.23Å; M32-F34 HydrophobicContact CG-CD2 4.26Å; M32-F34 PolarHBondContact O-N 3.27Å; M32-F34 HydrophobicContact SD-CD2 4.34Å; F34-K36 PolarHBondContact O-N 2.95Å
35S59.2Low67.6Low22 Ų2279.4 Ų79.415%0.15439%0.385CS..  trans-81.486.6179.4-1660000111M32 P33 R37M32-S35 PolarHBondContact O-N 2.9Å; P33-S35 VanDerWaalsContact C-N 3.26Å; P33-S35 PolarHBondContact O-N 3.39Å; S35-R37 PolarHBondContact O-N 3.5Å
36K54Low66.5Low202 Ų20276.7 Ų76.788%0.87837%0.371SS*.THydrogen-bonded Turntrans-65.810.8159.9-67.4-174178.8-177.90112.8F34F34-K36 PolarHBondContact O-N 2.95Å
37R56.3Low65.5Low167 Ų16777 Ų7763%0.6338%0.375SS*.THydrogen-bonded Turntrans-106.815.4-176.3-64.2-148.2-65.6-157.9-2.7113.7S35 D39 I40 F41S35-R37 PolarHBondContact O-N 3.5Å; R37-D39 PolarHBondContact O-N 3.49Å; R37-I40 HydrophobicContact CB-CD1 4.1Å; R37-I40 HydrophobicContact CG-CD1 4.09Å; R37-I40 PolarHBondContact O-N 2.95Å; R37-F41 WeakPolarHBondContact O-CD2 3.14Å
38K55.3Low64.5Low87 Ų8777.5 Ų77.538%0.37838%0.377SS..Hα-helixtrans-57.2-36.3175.3-68-176.9-176.9176.60111.6L30 I40 F41 T42L30-K38 WeakPolarHBondContact O-CE 3.3Å; K38-I40 VanDerWaalsContact C-N 3.26Å; K38-I40 PolarHBondContact O-N 2.81Å; K38-F41 PolarHBondContact O-N 3.43Å; K38-T42 PolarHBondContact O-N 3.25Å; K38-T42 VanDerWaalsContact O-N 3.15Å
39D57.7Low63.7Low121 Ų12173.8 Ų73.865%0.64736%0.361SS*.Hα-helixtrans-66.7-22-177.6-52.3-23.8000114R37 F41 T42R37-D39 PolarHBondContact O-N 3.49Å; D39-F41 VanDerWaalsContact C-N 3.27Å; D39-T42 PolarHBondContact O-OG1 2.81Å
40I55.9Low62.9Low67 Ų6777.1 Ų77.134%0.34437%0.374SS..Hα-helixtrans-75.6-24.1175.6-62.2165.6000110.7R37 K38 W55 R56R37-I40 HydrophobicContact CB-CD1 4.1Å; R37-I40 HydrophobicContact CG-CD1 4.09Å; R37-I40 PolarHBondContact O-N 2.95Å; K38-I40 VanDerWaalsContact C-N 3.26Å; K38-I40 PolarHBondContact O-N 2.81Å; I40-W55 HydrophobicContact CG2-CH2 3.93Å; I40-W55 HydrophobicContact CG2-CZ3 4.18Å; I40-R56 WeakPolarHBondContact O-CD 3.24Å
41F56.7Low62.7Low21 Ų2181.5 Ų81.59%0.09240%0.398CS..Hα-helixtrans-102.8-8.7-177.1-67.2-76.8000113.8F26 L30 R37 K38 D39 Y43 F59 C60 P63 S126F26-F41 HydrophobicContact CE1-CD1 4.01Å; F26-F41 AromaticContact CE1-CE1 3.33Å; F26-F41 HydrophobicContact CE1-CE1 3.33Å; F26-F41 HydrophobicContact CE1-CE2 4.5Å; F26-F41 AromaticContact CE1-CZ 3.63Å; F26-F41 HydrophobicContact CE1-CZ 3.63Å; F26-F41 AromaticContact CZ-CE1 3.54Å; F26-F41 HydrophobicContact CZ-CE1 3.54Å; F26-F41 HydrophobicContact CZ-CE2 4.31Å; F26-F41 AromaticContact CZ-CZ 3.37Å; F26-F41 HydrophobicContact CZ-CZ 3.37Å; L30-F41 HydrophobicContact CD1-CB 4.11Å; L30-F41 HydrophobicContact CD1-CD1 4.13Å; L30-F41 HydrophobicContact CD1-CD2 3.58Å; L30-F41 HydrophobicContact CD1-CE2 4.04Å; L30-F41 HydrophobicContact CD1-CG 3.64Å; L30-F41 HydrophobicContact CD2-CD2 3.55Å; L30-F41 HydrophobicContact CD2-CE2 3.59Å; L30-F41 HydrophobicContact CD2-CG 4.45Å; L30-F41 HydrophobicContact CG-CD2 4.24Å; L30-F41 HydrophobicContact CG-CE2 4.43Å; R37-F41 WeakPolarHBondContact O-CD2 3.14Å; K38-F41 PolarHBondContact O-N 3.43Å; D39-F41 VanDerWaalsContact C-N 3.27Å; F41-Y43 PolarHBondContact O-N 2.69Å; F41-F59 HydrophobicContact CE1-CB 4.27Å; F41-C60 VanDerWaalsContact C-SG 3.6Å; F41-C60 PolarHBondContact O-SG 2.83Å; F41-C60 VanDerWaalsContact O-SG 3.36Å; F41-P63 HydrophobicContact CD1-CG 3.88Å; F41-P63 HydrophobicContact CG-CG 4.33Å; F41-S126 WeakPolarHBondContact O-CB 3.28Å; F41-S126 PolarHBondContact O-OG 2.78Å
42T61.8Low62Low40 Ų4079.7 Ų79.725%0.24540%0.4CS..SBendtrans-65.4122.7169.649.60000108.2K38 D39 N44K38-T42 PolarHBondContact O-N 3.25Å; K38-T42 VanDerWaalsContact O-N 3.15Å; D39-T42 PolarHBondContact O-OG1 2.81Å; T42-N44 PolarHBondContact O-N 3.43Å
43Y64.3Low61.6Low5 Ų576.2 Ų76.22%0.0239%0.386CS..EExtended strand (participates in β ladder)trans-76.382.5177.1-166.6-71.3000107.5F41 L45 I48 L57 C60 E107 L124F41-Y43 PolarHBondContact O-N 2.69Å; Y43-L45 HydrophobicContact CD1-CD2 4.35Å; Y43-L45 HydrophobicContact CD1-CG 4.33Å; Y43-L45 HydrophobicContact CE1-CD2 3.63Å; Y43-L45 HydrophobicContact CE1-CG 4.08Å; Y43-I48 HydrophobicContact CD1-CD1 3.93Å; Y43-I48 HydrophobicContact CE1-CD1 3.67Å; Y43-I48 HydrophobicContact CE2-CD1 4.44Å; Y43-I48 HydrophobicContact CG-CD1 4.43Å; Y43-L57 HydrophobicContact CE1-CD2 4.47Å; Y43-L57 HydrophobicContact CE2-CD2 3.62Å; Y43-L57 WeakPolarHBondContact OH-CD2 3.4Å; Y43-C60 HydrophobicContact CD2-CB 4.1Å; Y43-E107 PolarHBondContact OH-OE2 2.94Å; Y43-L124 HydrophobicContact CD1-CB 3.5Å; Y43-L124 HydrophobicContact CD1-CD1 3.75Å; Y43-L124 HydrophobicContact CD1-CG 3.76Å; Y43-L124 HydrophobicContact CE1-CB 4.03Å; Y43-L124 HydrophobicContact CE1-CD1 3.34Å; Y43-L124 HydrophobicContact CE1-CG 3.88Å; Y43-L124 HydrophobicContact CG-CB 4Å; Y43-L124 PolarHBondContact O-N 2.85Å
44N65.7Low61.8Low45 Ų4577 Ų7724%0.24138%0.382CS..EExtended strand (participates in β ladder)trans-91.2114.9176.1-165.2-17.1000109.2T42 D46 D47 I48 H122T42-N44 PolarHBondContact O-N 3.43Å; N44-D46 PolarHBondContact OD1-N 2.81Å; N44-D47 HydrophobicContact CB-CB 4.04Å; N44-I48 WeakPolarHBondContact O-CD1 3.47Å; N44-I48 WeakPolarHBondContact O-CG1 3.48Å; N44-I48 PolarHBondContact O-N 3.19Å; N44-H122 WeakPolarHBondContact CA-O 3.45Å; N44-H122 PolarHBondContact OD1-O 3.13Å; N44-H122 VanDerWaalsContact OD1-O 3.1Å
45L60.2Low62.2Low4 Ų475.7 Ų75.72%0.02137%0.372CS..Hα-helixtrans-65.7-39.9-177.7-80.8169.6000111.8Y43 D47 I48 F49 A111 L121 H122 L124Y43-L45 HydrophobicContact CD1-CD2 4.35Å; Y43-L45 HydrophobicContact CD1-CG 4.33Å; Y43-L45 HydrophobicContact CE1-CD2 3.63Å; Y43-L45 HydrophobicContact CE1-CG 4.08Å; L45-D47 PolarHBondContact O-N 2.92Å; L45-I48 PolarHBondContact O-N 3.46Å; L45-I48 VanDerWaalsContact O-N 3.09Å; L45-F49 HydrophobicContact CD2-CE2 4.31Å; L45-F49 VanDerWaalsContact O-CD2 3.23Å; L45-F49 WeakPolarHBondContact O-CD2 3.19Å; L45-F49 PolarHBondContact O-N 3.12Å; L45-A111 HydrophobicContact CD1-CB 4.04Å; L45-A111 HydrophobicContact CD2-CB 3.95Å; L45-L121 HydrophobicContact CD1-CB 4.09Å; L45-L121 WeakPolarHBondContact CD1-O 3.48Å; L45-H122 PolarHBondContact N-O 3.08Å; L45-L124 HydrophobicContact CD1-CD1 4.04Å; L45-L124 HydrophobicContact CD1-CD2 3.97Å; L45-L124 HydrophobicContact CD1-CG 3.76Å; L45-L124 HydrophobicContact CD2-CD1 4.17Å; L45-L124 HydrophobicContact CG-CD1 4.22Å; L45-L124 HydrophobicContact CG-CG 4.04Å
46D63.4Low62.7Low48 Ų4875.5 Ų75.526%0.25737%0.368SS..Hα-helixtrans-56.8-45.7-178.7-63.6-41.5000110.9N44 I48 F49 E50 H122N44-D46 PolarHBondContact OD1-N 2.81Å; D46-I48 VanDerWaalsContact C-N 3.27Å; D46-I48 PolarHBondContact O-N 3.42Å; D46-F49 PolarHBondContact O-N 3.41Å; D46-E50 VanDerWaalsContact O-CB 3.32Å; D46-E50 WeakPolarHBondContact O-CB 3.45Å; D46-E50 PolarHBondContact O-N 2.99Å; D46-H122 VanDerWaalsContact CG-ND1 3.34Å; D46-H122 IonicContact OD1-CE1 3.59Å; D46-H122 IonicContact OD1-ND1 3.01Å; D46-H122 PolarHBondContact OD1-ND1 2.92Å; D46-H122 IonicContact OD2-CE1 3.6Å; D46-H122 IonicContact OD2-CG 3.6Å; D46-H122 IonicContact OD2-ND1 2.67Å; D46-H122 PolarHBondContact OD2-ND1 2.91Å
47D62.5Low63.5Low46 Ų4666.6 Ų66.625%0.24633%0.33CS..Hα-helixtrans-71.3-27-174.8-154.1-3000110.3N44 L45 N51 R56N44-D47 HydrophobicContact CB-CB 4.04Å; L45-D47 PolarHBondContact O-N 2.92Å; D47-N51 VanDerWaalsContact O-CB 3.28Å; D47-N51 WeakPolarHBondContact O-CB 3.39Å; D47-N51 PolarHBondContact O-N 2.9Å; D47-N51 PolarHBondContact OD1-ND2 3.1Å; D47-R56 VanDerWaalsContact CG-NH2 3.29Å; D47-R56 PolarHBondContact O-NH2 2.86Å; D47-R56 IonicContact OD1-NH1 3.58Å; D47-R56 IonicContact OD1-NH2 3.26Å; D47-R56 IonicContact OD2-CZ 3.8Å; D47-R56 IonicContact OD2-NH1 3.61Å; D47-R56 PolarHBondContact OD2-NH1 2.87Å; D47-R56 IonicContact OD2-NH2 3.5Å
48I64.8Low64.2Low15 Ų1561.4 Ų61.48%0.07732%0.323CS..Hα-helixtrans-75-43.9174.4-66.5156.6000110.5Y43 N44 L45 D46 E50 G52 R56 L57 L108Y43-I48 HydrophobicContact CD1-CD1 3.93Å; Y43-I48 HydrophobicContact CE1-CD1 3.67Å; Y43-I48 HydrophobicContact CE2-CD1 4.44Å; Y43-I48 HydrophobicContact CG-CD1 4.43Å; N44-I48 WeakPolarHBondContact O-CD1 3.47Å; N44-I48 WeakPolarHBondContact O-CG1 3.48Å; N44-I48 PolarHBondContact O-N 3.19Å; L45-I48 PolarHBondContact O-N 3.46Å; L45-I48 VanDerWaalsContact O-N 3.09Å; D46-I48 VanDerWaalsContact C-N 3.27Å; D46-I48 PolarHBondContact O-N 3.42Å; I48-E50 VanDerWaalsContact C-N 3.33Å; I48-G52 WeakPolarHBondContact O-CA 3.46Å; I48-G52 PolarHBondContact O-N 3.01Å; I48-G52 VanDerWaalsContact O-N 3.08Å; I48-R56 VanDerWaalsContact N-NH2 3.11Å; I48-L57 HydrophobicContact CD1-CD2 3.52Å; I48-L57 HydrophobicContact CD1-CG 4.36Å; I48-L57 HydrophobicContact CG1-CD2 4.19Å; I48-L57 HydrophobicContact CG2-CD1 4.24Å; I48-L57 HydrophobicContact CG2-CD2 4.22Å; I48-L57 HydrophobicContact CG2-CG 4.31Å; I48-L108 HydrophobicContact CG2-CD2 4.05Å
49F66.2Low64.9Low75 Ų7562.2 Ų62.233%0.32933%0.327SS..Hα-helixtrans-67.2-34.7178.1-80.3-71000112.2L45 D46 A111 F112L45-F49 HydrophobicContact CD2-CE2 4.31Å; L45-F49 VanDerWaalsContact O-CD2 3.23Å; L45-F49 WeakPolarHBondContact O-CD2 3.19Å; L45-F49 PolarHBondContact O-N 3.12Å; D46-F49 PolarHBondContact O-N 3.41Å; F49-A111 HydrophobicContact CE2-CB 4.25Å; F49-A111 HydrophobicContact CZ-CB 4.38Å; F49-F112 HydrophobicContact CE1-CB 4.19Å; F49-F112 HydrophobicContact CE1-CD2 4.06Å; F49-F112 HydrophobicContact CZ-CB 4.02Å
50E66.2Low65.6Low165 Ų16556.5 Ų56.577%0.77130%0.296SS*.Hα-helixtrans-88.2-49-176.7-166.7168-169.100112.8D46 I48D46-E50 VanDerWaalsContact O-CB 3.32Å; D46-E50 WeakPolarHBondContact O-CB 3.45Å; D46-E50 PolarHBondContact O-N 2.99Å; I48-E50 VanDerWaalsContact C-N 3.33Å
51N69.7Low66.5Low106 Ų10654.1 Ų54.157%0.56728%0.284SS*.Hα-helixtrans-91-5.3-176.9-73.2-43.3000114.3D47 S53D47-N51 VanDerWaalsContact O-CB 3.28Å; D47-N51 WeakPolarHBondContact O-CB 3.39Å; D47-N51 PolarHBondContact O-N 2.9Å; D47-N51 PolarHBondContact OD1-ND2 3.1Å; N51-S53 PolarHBondContact O-N 2.99Å
52G61.8Low67.4Low49 Ų4955 Ų5551%0.50529%0.289SS..  trans56.82317600000114.5I48 I54I48-G52 WeakPolarHBondContact O-CA 3.46Å; I48-G52 PolarHBondContact O-N 3.01Å; I48-G52 VanDerWaalsContact O-N 3.08Å; G52-I54 VanDerWaalsContact C-N 3.28Å; G52-I54 PolarHBondContact O-N 3.38Å
53S67.8Low68.1Low27 Ų2753.2 Ų53.219%0.18928%0.278CS..  trans-77.274.8-173-75.60000111.5N51 W55 R56N51-S53 PolarHBondContact O-N 2.99Å; S53-W55 PolarHBondContact O-N 3.33Å; S53-W55 PolarHBondContact OG-NE1 3.35Å; S53-R56 VanDerWaalsContact O-CB 3.29Å; S53-R56 WeakPolarHBondContact O-CB 3.48Å; S53-R56 PolarHBondContact O-N 3.29Å
54I67.8Low69Low132 Ų13253.2 Ų53.268%0.67728%0.278SS*.Hα-helixtrans-56.4-34-179.8-58.5162.4000111.3G52 R56 L57G52-I54 VanDerWaalsContact C-N 3.28Å; G52-I54 PolarHBondContact O-N 3.38Å; I54-R56 PolarHBondContact O-N 3.3Å; I54-L57 WeakPolarHBondContact O-CB 3.48Å; I54-L57 PolarHBondContact O-N 2.74Å; I54-L57 VanDerWaalsContact O-N 3.14Å
55W69.1Low69.6Low145 Ų14555.1 Ų55.155%0.54929%0.288SS..Hα-helixtrans-57.5-38.4176.267.4-90.8000111.3I40 S53 L57 A58 F59I40-W55 HydrophobicContact CG2-CH2 3.93Å; I40-W55 HydrophobicContact CG2-CZ3 4.18Å; S53-W55 PolarHBondContact O-N 3.33Å; S53-W55 PolarHBondContact OG-NE1 3.35Å; W55-L57 VanDerWaalsContact C-N 3.3Å; W55-L57 PolarHBondContact O-N 3.28Å; W55-A58 PolarHBondContact O-N 2.82Å; W55-A58 VanDerWaalsContact O-N 3.12Å; W55-F59 HydrophobicContact CB-CD2 4.47Å; W55-F59 AromaticContact CE3-CD2 3.79Å; W55-F59 HydrophobicContact CE3-CD2 3.79Å; W55-F59 HydrophobicContact CE3-CE2 4.4Å; W55-F59 VanDerWaalsContact O-CD2 3.23Å; W55-F59 WeakPolarHBondContact O-CD2 3.15Å; W55-F59 PolarHBondContact O-N 3.12Å; W55-F59 VanDerWaalsContact O-N 3.07Å
56R70.6Confident70.6Confident18 Ų1857.2 Ų57.27%0.06830%0.303CS..Hα-helixtrans-63.1-35.8179.7-173171.362.5-156.4-9.6112I40 D47 I48 S53 I54 A58 F59 C60I40-R56 WeakPolarHBondContact O-CD 3.24Å; D47-R56 VanDerWaalsContact CG-NH2 3.29Å; D47-R56 PolarHBondContact O-NH2 2.86Å; D47-R56 IonicContact OD1-NH1 3.58Å; D47-R56 IonicContact OD1-NH2 3.26Å; D47-R56 IonicContact OD2-CZ 3.8Å; D47-R56 IonicContact OD2-NH1 3.61Å; D47-R56 PolarHBondContact OD2-NH1 2.87Å; D47-R56 IonicContact OD2-NH2 3.5Å; I48-R56 VanDerWaalsContact N-NH2 3.11Å; S53-R56 VanDerWaalsContact O-CB 3.29Å; S53-R56 WeakPolarHBondContact O-CB 3.48Å; S53-R56 PolarHBondContact O-N 3.29Å; I54-R56 PolarHBondContact O-N 3.3Å; R56-A58 VanDerWaalsContact C-N 3.29Å; R56-A58 PolarHBondContact O-N 3.45Å; R56-F59 PolarHBondContact O-N 2.84Å; R56-C60 WeakPolarHBondContact CG-SG 3.18Å; R56-C60 VanDerWaalsContact O-CB 3.24Å; R56-C60 WeakPolarHBondContact O-CB 3.33Å; R56-C60 PolarHBondContact O-N 3.36Å; R56-C60 PolarHBondContact O-SG 3.33Å
57L69.9Low71.7Confident15 Ų1558.8 Ų58.88%0.07931%0.314CS..Hα-helixtrans-57.1-44.1174.4-69.5168.5000111.7Y43 I48 I54 W55 Q61 L108Y43-L57 HydrophobicContact CE1-CD2 4.47Å; Y43-L57 HydrophobicContact CE2-CD2 3.62Å; Y43-L57 WeakPolarHBondContact OH-CD2 3.4Å; I48-L57 HydrophobicContact CD1-CD2 3.52Å; I48-L57 HydrophobicContact CD1-CG 4.36Å; I48-L57 HydrophobicContact CG1-CD2 4.19Å; I48-L57 HydrophobicContact CG2-CD1 4.24Å; I48-L57 HydrophobicContact CG2-CD2 4.22Å; I48-L57 HydrophobicContact CG2-CG 4.31Å; I54-L57 WeakPolarHBondContact O-CB 3.48Å; I54-L57 PolarHBondContact O-N 2.74Å; I54-L57 VanDerWaalsContact O-N 3.14Å; W55-L57 VanDerWaalsContact C-N 3.3Å; W55-L57 PolarHBondContact O-N 3.28Å; L57-Q61 WeakPolarHBondContact O-CG 3.37Å; L57-Q61 PolarHBondContact O-OE1 3.44Å; L57-L108 HydrophobicContact CD1-CD1 3.97Å; L57-L108 HydrophobicContact CD2-CD2 4.49Å
58A70.5Confident73Confident59 Ų5963.6 Ų63.649%0.48833%0.333SS..Hα-helixtrans-70.7-38.9179.200000112.4W55 R56W55-A58 PolarHBondContact O-N 2.82Å; W55-A58 VanDerWaalsContact O-N 3.12Å; R56-A58 VanDerWaalsContact C-N 3.29Å; R56-A58 PolarHBondContact O-N 3.45Å
59F71.1Confident74.1Confident103 Ų10363.6 Ų63.645%0.45233%0.333SS..Hα-helixtrans-80-33.6-176.6-78.3-76.4000114.1F41 W55 R56 Q61 L62 P63F41-F59 HydrophobicContact CE1-CB 4.27Å; W55-F59 HydrophobicContact CB-CD2 4.47Å; W55-F59 AromaticContact CE3-CD2 3.79Å; W55-F59 HydrophobicContact CE3-CD2 3.79Å; W55-F59 HydrophobicContact CE3-CE2 4.4Å; W55-F59 VanDerWaalsContact O-CD2 3.23Å; W55-F59 WeakPolarHBondContact O-CD2 3.15Å; W55-F59 PolarHBondContact O-N 3.12Å; W55-F59 VanDerWaalsContact O-N 3.07Å; R56-F59 PolarHBondContact O-N 2.84Å; F59-Q61 PolarHBondContact O-N 3.25Å; F59-L62 HydrophobicContact CD1-CD1 4.24Å; F59-L62 PolarHBondContact O-N 3.26Å; F59-P63 WeakPolarHBondContact O-CD 3.39Å
60C72.2Confident75.2Confident1 Ų161.7 Ų61.71%0.00733%0.326CS..Hα-helixtrans-65.7-23.1175.2-74.80000113F41 Y43 R56 L62 S126 G127F41-C60 VanDerWaalsContact C-SG 3.6Å; F41-C60 PolarHBondContact O-SG 2.83Å; F41-C60 VanDerWaalsContact O-SG 3.36Å; Y43-C60 HydrophobicContact CD2-CB 4.1Å; R56-C60 WeakPolarHBondContact CG-SG 3.18Å; R56-C60 VanDerWaalsContact O-CB 3.24Å; R56-C60 WeakPolarHBondContact O-CB 3.33Å; R56-C60 PolarHBondContact O-N 3.36Å; R56-C60 PolarHBondContact O-SG 3.33Å; C60-L62 VanDerWaalsContact C-N 3.3Å; C60-L62 PolarHBondContact O-N 3.02Å; C60-S126 PolarHBondContact O-OG 3.31Å; C60-G127 PolarHBondContact O-N 2.89Å
61Q74.9Confident76.4Confident18 Ų1857.9 Ų57.98%0.08431%0.314CS..THydrogen-bonded Turntrans-84.8-3.8-176.3-70.5172.3-15.100113.5L57 F59 G127 P128 N130L57-Q61 WeakPolarHBondContact O-CG 3.37Å; L57-Q61 PolarHBondContact O-OE1 3.44Å; F59-Q61 PolarHBondContact O-N 3.25Å; Q61-G127 CarbonylContact O-C 3.4Å; Q61-P128 WeakPolarHBondContact O-CA 3.26Å; Q61-P128 WeakPolarHBondContact O-CB 3.41Å; Q61-P128 VanDerWaalsContact O-CD 3.3Å; Q61-P128 WeakPolarHBondContact O-CD 3.44Å; Q61-N130 PolarHBondContact NE2-ND2 2.88Å; Q61-N130 VanDerWaalsContact NE2-ND2 3.18Å; Q61-N130 PolarHBondContact OE1-ND2 3.15Å
62L75.5Confident77.5Confident39 Ų3953.2 Ų53.220%0.20429%0.29CS..SBendtrans-86.6-46.8-176.3-69.1163.4000113.9F19 F22 S23 F26 F59 C60F19-L62 HydrophobicContact CE2-CD2 4.2Å; F22-L62 HydrophobicContact CD1-CB 4.49Å; F22-L62 HydrophobicContact CD1-CD2 4.1Å; F22-L62 HydrophobicContact CE1-CB 3.97Å; F22-L62 HydrophobicContact CE1-CD1 3.77Å; F22-L62 HydrophobicContact CE1-CD2 3.94Å; F22-L62 HydrophobicContact CE1-CG 4.09Å; F22-L62 HydrophobicContact CZ-CD1 4.4Å; S23-L62 PolarHBondContact OG-O 3.25Å; F26-L62 HydrophobicContact CD1-CB 4.35Å; F59-L62 HydrophobicContact CD1-CD1 4.24Å; F59-L62 PolarHBondContact O-N 3.26Å; C60-L62 VanDerWaalsContact C-N 3.3Å; C60-L62 PolarHBondContact O-N 3.02Å
63P76.7Confident78.9Confident2 Ų250.9 Ų50.91%0.01327%0.266CS..SBendtrans-91.1140.7178.830-26.4000112.8F26 L30 F41 F59 S126 G127F26-P63 HydrophobicContact CD1-CB 3.59Å; F26-P63 HydrophobicContact CD1-CG 3.61Å; F26-P63 HydrophobicContact CE1-CB 4.25Å; F26-P63 HydrophobicContact CE1-CG 3.77Å; L30-P63 HydrophobicContact CD1-CB 3.56Å; L30-P63 HydrophobicContact CD1-CG 3.46Å; L30-P63 VanDerWaalsContact CD1-CG 3.46Å; F41-P63 HydrophobicContact CD1-CG 3.88Å; F41-P63 HydrophobicContact CG-CG 4.33Å; F59-P63 WeakPolarHBondContact O-CD 3.39Å; P63-S126 CarbonylContact O-C 3.44Å; P63-G127 VanDerWaalsContact O-CA 3.23Å; P63-G127 WeakPolarHBondContact O-CA 3.19Å; P63-G127 PolarHBondContact O-N 3.37Å
64F83Confident80.1Confident6 Ų650.1 Ų50.13%0.02626%0.263CS..  trans-75.3133.3156.4-61.9-84.1000110.4S23 S27 D69 L70 P128 F129 I132S23-F64 WeakPolarHBondContact OG-CD2 3.22Å; S23-F64 VanDerWaalsContact OG-CE2 3.29Å; S23-F64 WeakPolarHBondContact OG-CE2 3.21Å; S27-F64 WeakPolarHBondContact CB-O 3.21Å; S27-F64 WeakPolarHBondContact OG-CA 3.44Å; S27-F64 PolarHBondContact OG-N 3.25Å; S27-F64 PolarHBondContact OG-O 2.96Å; F64-D69 HydrophobicContact CD1-CB 3.89Å; F64-D69 WeakPolarHBondContact CD1-O 3.34Å; F64-D69 WeakPolarHBondContact CE1-O 3.41Å; F64-L70 HydrophobicContact CB-CB 3.87Å; F64-L70 HydrophobicContact CB-CD1 4.2Å; F64-L70 HydrophobicContact CD2-CB 4.34Å; F64-L70 HydrophobicContact CD2-CD1 3.51Å; F64-L70 HydrophobicContact CE2-CD1 4.26Å; F64-L70 HydrophobicContact CG-CB 4.22Å; F64-L70 HydrophobicContact CG-CD1 4.19Å; F64-P128 HydrophobicContact CD2-CG 4.43Å; F64-P128 HydrophobicContact CE1-CG 4.01Å; F64-P128 HydrophobicContact CE2-CG 3.64Å; F64-P128 HydrophobicContact CZ-CG 3.4Å; F64-P128 VanDerWaalsContact CZ-CG 3.4Å; F64-F129 HydrophobicContact CD1-CE1 4.16Å; F64-F129 HydrophobicContact CD1-CZ 4.01Å; F64-F129 HydrophobicContact CE1-CD1 4.43Å; F64-F129 AromaticContact CE1-CE1 3.83Å; F64-F129 HydrophobicContact CE1-CE1 3.83Å; F64-F129 HydrophobicContact CE1-CZ 4.14Å; F64-I132 HydrophobicContact CE1-CD1 4.29Å; F64-I132 HydrophobicContact CZ-CD1 3.76Å
65L77.6Confident81.2Confident84 Ų8446.9 Ų46.944%0.4425%0.246SC..SBendtrans-84-28.3178.3-17063.8000113.1
66S82.5Confident82.3Confident48 Ų4840 Ų4034%0.33622%0.22SC..SBendtrans-106.5141.1179.8175.60000111.4K68 D69 L70S66-K68 VanDerWaalsContact C-N 3.29Å; S66-K68 PolarHBondContact O-N 3.3Å; S66-K68 PolarHBondContact OG-N 3.42Å; S66-D69 WeakPolarHBondContact CB-OD2 3.4Å; S66-D69 PolarHBondContact O-N 3.31Å; S66-L70 WeakPolarHBondContact O-CB 3.46Å; S66-L70 PolarHBondContact O-N 3.35Å
67T86.1Confident83.3Confident81 Ų8139.6 Ų39.650%0.49722%0.219SC..Hα-helixtrans-63.6-34.5175.8-48.30000112.1L70 V71T67-L70 WeakPolarHBondContact O-CB 3.32Å; T67-L70 PolarHBondContact O-N 2.87Å; T67-V71 WeakPolarHBondContact O-CG2 3.41Å; T67-V71 PolarHBondContact O-N 2.92Å
68K88.8Confident84.2Confident148 Ų14842.9 Ų42.964%0.64323%0.231SC*.Hα-helixtrans-65.5-46.5178.2-65.9-175.3-178.8179.50110.8S66 L70 V71 C72S66-K68 VanDerWaalsContact C-N 3.29Å; S66-K68 PolarHBondContact O-N 3.3Å; S66-K68 PolarHBondContact OG-N 3.42Å; K68-L70 VanDerWaalsContact C-N 3.3Å; K68-L70 PolarHBondContact O-N 3.02Å; K68-V71 PolarHBondContact O-N 2.84Å; K68-C72 PolarHBondContact O-N 3.46Å; K68-C72 PolarHBondContact O-SG 3Å; K68-C72 VanDerWaalsContact O-SG 3.36Å
69D88.6Confident85.1Confident15 Ų1543.6 Ų43.68%0.0822%0.222CC..Hα-helixtrans-66.1-35.5178.4-56.1-11.5000111.2F64 S66 G73 F129F64-D69 HydrophobicContact CD1-CB 3.89Å; F64-D69 WeakPolarHBondContact CD1-O 3.34Å; F64-D69 WeakPolarHBondContact CE1-O 3.41Å; S66-D69 WeakPolarHBondContact CB-OD2 3.4Å; S66-D69 PolarHBondContact O-N 3.31Å; D69-G73 VanDerWaalsContact O-CA 3.31Å; D69-G73 WeakPolarHBondContact O-CA 3.45Å; D69-G73 PolarHBondContact O-N 3.08Å; D69-F129 HydrophobicContact CB-CE1 4.47Å; D69-F129 HydrophobicContact CB-CZ 4.1Å
70L89.6Confident86Confident34 Ų3438.7 Ų38.718%0.17820%0.2CC..Hα-helixtrans-60.8-45.8173.5178.563.8000111.8V24 F64 S66 T67 K68 G74V24-L70 HydrophobicContact CG2-CD1 4.07Å; F64-L70 HydrophobicContact CB-CB 3.87Å; F64-L70 HydrophobicContact CB-CD1 4.2Å; F64-L70 HydrophobicContact CD2-CB 4.34Å; F64-L70 HydrophobicContact CD2-CD1 3.51Å; F64-L70 HydrophobicContact CE2-CD1 4.26Å; F64-L70 HydrophobicContact CG-CB 4.22Å; F64-L70 HydrophobicContact CG-CD1 4.19Å; S66-L70 WeakPolarHBondContact O-CB 3.46Å; S66-L70 PolarHBondContact O-N 3.35Å; T67-L70 WeakPolarHBondContact O-CB 3.32Å; T67-L70 PolarHBondContact O-N 2.87Å; K68-L70 VanDerWaalsContact C-N 3.3Å; K68-L70 PolarHBondContact O-N 3.02Å; L70-G74 WeakPolarHBondContact O-CA 3.13Å; L70-G74 PolarHBondContact O-N 3.09Å
71V91.4Very high86.8Confident85 Ų8539.5 Ų39.552%0.51520%0.203SC..Hα-helixtrans-67.4-51.9178.9173.50000110.4T67 K68 G74 L75T67-V71 WeakPolarHBondContact O-CG2 3.41Å; T67-V71 PolarHBondContact O-N 2.92Å; K68-V71 PolarHBondContact O-N 2.84Å; V71-G74 PolarHBondContact O-N 3.01Å; V71-L75 HydrophobicContact CG1-CD1 4.1Å; V71-L75 WeakPolarHBondContact O-CB 3.44Å; V71-L75 VanDerWaalsContact O-CG 3.27Å; V71-L75 WeakPolarHBondContact O-CG 3.14Å; V71-L75 PolarHBondContact O-N 2.77Å
72C92.4Very high87.3Confident8 Ų840.9 Ų40.95%0.05421%0.211CC..Hα-helixtrans-64.8-45.6-178.2-64.80000111.9K68 L75 L76 F165 E168 I169K68-C72 PolarHBondContact O-N 3.46Å; K68-C72 PolarHBondContact O-SG 3Å; K68-C72 VanDerWaalsContact O-SG 3.36Å; C72-L75 PolarHBondContact O-N 3.03Å; C72-L76 VanDerWaalsContact O-CG 3.31Å; C72-L76 WeakPolarHBondContact O-CG 3.26Å; C72-L76 PolarHBondContact O-N 3.04Å; C72-F165 HydrophobicContact CB-CB 4.31Å; C72-E168 PolarHBondContact SG-OE2 3.23Å; C72-I169 HydrophobicContact CB-CD1 3.65Å; C72-I169 HydrophobicContact CB-CG1 3.81Å
73G92Very high87.9Confident0 Ų039.2 Ų39.20%020%0.202CC..Hα-helixtrans-66.1-40.2177.200000112.7D69 L76 L77D69-G73 VanDerWaalsContact O-CA 3.31Å; D69-G73 WeakPolarHBondContact O-CA 3.45Å; D69-G73 PolarHBondContact O-N 3.08Å; G73-L76 PolarHBondContact O-N 3.37Å; G73-L77 WeakPolarHBondContact O-CG 3.41Å; G73-L77 PolarHBondContact O-N 2.98Å
74G91.6Very high88.4Confident12 Ų1239.2 Ų39.212%0.12420%0.202CC..Hα-helixtrans-62.4-42.2173.500000112.7L70 V71 L77 Y78L70-G74 WeakPolarHBondContact O-CA 3.13Å; L70-G74 PolarHBondContact O-N 3.09Å; V71-G74 PolarHBondContact O-N 3.01Å; G74-L77 PolarHBondContact O-N 3.37Å; G74-Y78 PolarHBondContact O-N 3.11Å
75L91.4Very high88.5Confident64 Ų6441.8 Ų41.834%0.33521%0.211SC..Hα-helixtrans-63.3-43.6173.5-72.6171.3000111.4V71 C72 L77 Y78 Y79 F165V71-L75 HydrophobicContact CG1-CD1 4.1Å; V71-L75 WeakPolarHBondContact O-CB 3.44Å; V71-L75 VanDerWaalsContact O-CG 3.27Å; V71-L75 WeakPolarHBondContact O-CG 3.14Å; V71-L75 PolarHBondContact O-N 2.77Å; C72-L75 PolarHBondContact O-N 3.03Å; L75-L77 PolarHBondContact O-N 3.06Å; L75-Y78 WeakPolarHBondContact O-CB 2.99Å; L75-Y78 PolarHBondContact O-N 3.23Å; L75-Y78 VanDerWaalsContact O-N 3.15Å; L75-Y79 WeakPolarHBondContact O-CD2 3.35Å; L75-Y79 PolarHBondContact O-N 2.88Å; L75-F165 HydrophobicContact CB-CD2 4.12Å; L75-F165 HydrophobicContact CB-CE2 4.16Å; L75-F165 HydrophobicContact CD1-CD2 4.34Å; L75-F165 HydrophobicContact CD1-CE1 4.02Å; L75-F165 HydrophobicContact CD1-CE2 3.83Å; L75-F165 HydrophobicContact CD1-CZ 3.65Å
76L92.9Very high89Confident0 Ų045.5 Ų45.50%022%0.219CC..Hα-helixtrans-60-46.5176.1-75.8168.7000112.6C72 G73 Y78 Y79 F80 I132 F136 P162 F165 I169C72-L76 VanDerWaalsContact O-CG 3.31Å; C72-L76 WeakPolarHBondContact O-CG 3.26Å; C72-L76 PolarHBondContact O-N 3.04Å; G73-L76 PolarHBondContact O-N 3.37Å; L76-Y78 PolarHBondContact O-N 3.23Å; L76-Y79 PolarHBondContact O-N 3.21Å; L76-Y79 VanDerWaalsContact O-N 3.11Å; L76-F80 HydrophobicContact CB-CD2 4.47Å; L76-F80 HydrophobicContact CB-CE2 4.28Å; L76-F80 HydrophobicContact CD2-CE2 4.19Å; L76-F80 HydrophobicContact CD2-CZ 4.19Å; L76-F80 WeakPolarHBondContact O-CB 3.3Å; L76-F80 WeakPolarHBondContact O-CD2 3.43Å; L76-F80 WeakPolarHBondContact O-CG 3.22Å; L76-F80 PolarHBondContact O-N 2.87Å; L76-I132 HydrophobicContact CB-CG2 3.87Å; L76-I132 HydrophobicContact CD1-CG2 3.79Å; L76-I132 HydrophobicContact CG-CG2 4.4Å; L76-F136 HydrophobicContact CD1-CE2 4.3Å; L76-F136 HydrophobicContact CD1-CZ 4.27Å; L76-F136 HydrophobicContact CD2-CE1 4.35Å; L76-F136 HydrophobicContact CD2-CE2 4.04Å; L76-F136 HydrophobicContact CD2-CZ 3.47Å; L76-F136 VanDerWaalsContact CD2-CZ 3.47Å; L76-P162 HydrophobicContact CD2-CB 3.72Å; L76-P162 VanDerWaalsContact CD2-O 3.3Å; L76-P162 WeakPolarHBondContact CD2-O 3.4Å; L76-F165 HydrophobicContact CD1-CB 4.31Å; L76-F165 HydrophobicContact CD2-CB 4.22Å; L76-F165 HydrophobicContact CG-CB 4.04Å; L76-I169 HydrophobicContact CD1-CD1 3.6Å
77L91.3Very high89Confident9 Ų946 Ų465%0.04721%0.214CC..Hα-helixtrans-58.2-39.8174.7-73.1170.8000111.5T16 F19 L20 G73 G74 L75 F80 R81 I132T16-L77 WeakPolarHBondContact CG2-O 3.23Å; F19-L77 HydrophobicContact CD1-CD1 3.72Å; F19-L77 HydrophobicContact CD1-CD2 3.79Å; F19-L77 HydrophobicContact CD1-CG 4.4Å; F19-L77 HydrophobicContact CE1-CD1 3.73Å; F19-L77 HydrophobicContact CE1-CD2 3.77Å; F19-L77 HydrophobicContact CE1-CG 4.41Å; L20-L77 HydrophobicContact CD1-CB 4.47Å; G73-L77 WeakPolarHBondContact O-CG 3.41Å; G73-L77 PolarHBondContact O-N 2.98Å; G74-L77 PolarHBondContact O-N 3.37Å; L75-L77 PolarHBondContact O-N 3.06Å; L77-F80 PolarHBondContact O-N 2.94Å; L77-R81 PolarHBondContact O-N 3.26Å; L77-R81 VanDerWaalsContact O-N 3.11Å; L77-I132 HydrophobicContact CD1-CD1 4.24Å; L77-I132 HydrophobicContact CD2-CD1 4.16Å; L77-I132 HydrophobicContact CD2-CG1 3.7Å; L77-I132 HydrophobicContact CG-CD1 3.9Å; L77-I132 HydrophobicContact CG-CG1 3.98Å
78Y89.1Confident88.9Confident85 Ų8543.6 Ų43.633%0.33321%0.206SC..Hα-helixtrans-63.5-41.8174.8-179.7-94.9000112.8F10 G74 L75 L76 R81F10-Y78 AromaticContact CE1-CD2 3.98Å; F10-Y78 HydrophobicContact CE1-CD2 3.98Å; F10-Y78 HydrophobicContact CE1-CE2 4.46Å; F10-Y78 HydrophobicContact CE2-CD2 4.23Å; F10-Y78 HydrophobicContact CE2-CE2 4.21Å; F10-Y78 AromaticContact CZ-CD2 3.65Å; F10-Y78 HydrophobicContact CZ-CD2 3.65Å; F10-Y78 HydrophobicContact CZ-CE2 4.07Å; G74-Y78 PolarHBondContact O-N 3.11Å; L75-Y78 WeakPolarHBondContact O-CB 2.99Å; L75-Y78 PolarHBondContact O-N 3.23Å; L75-Y78 VanDerWaalsContact O-N 3.15Å; L76-Y78 PolarHBondContact O-N 3.23Å; Y78-R81 WeakPolarHBondContact O-CB 3.14Å; Y78-R81 PolarHBondContact OH-NH2 3.07Å
79Y88.9Confident88.7Confident73 Ų7338.8 Ų38.829%0.28619%0.191SC..Hα-helixtrans-66.9-44.6175.7-80.6-72.8000112.2L75 L76 R81 I82 F161 P162 F165L75-Y79 WeakPolarHBondContact O-CD2 3.35Å; L75-Y79 PolarHBondContact O-N 2.88Å; L76-Y79 PolarHBondContact O-N 3.21Å; L76-Y79 VanDerWaalsContact O-N 3.11Å; Y79-R81 PolarHBondContact O-N 3.06Å; Y79-I82 WeakPolarHBondContact O-CG2 3.4Å; Y79-I82 PolarHBondContact O-N 2.83Å; Y79-F161 HydrophobicContact CE1-CB 4.44Å; Y79-F161 HydrophobicContact CE2-CB 4.05Å; Y79-F161 WeakPolarHBondContact OH-CB 3.4Å; Y79-P162 HydrophobicContact CD1-CG 4.45Å; Y79-P162 HydrophobicContact CD2-CB 4.39Å; Y79-P162 HydrophobicContact CG-CB 4.31Å; Y79-P162 HydrophobicContact CG-CG 4.3Å; Y79-F165 HydrophobicContact CE2-CD2 4.37Å; Y79-F165 HydrophobicContact CE2-CE2 4.02Å
80F90.6Very high88.5Confident1 Ų142 Ų420%0.00420%0.202CC..Hα-helixtrans-73.2-7.3-179.2-64.6-32000114.7L76 L77 I82 F83 I132 L135 F136 Y139L76-F80 HydrophobicContact CB-CD2 4.47Å; L76-F80 HydrophobicContact CB-CE2 4.28Å; L76-F80 HydrophobicContact CD2-CE2 4.19Å; L76-F80 HydrophobicContact CD2-CZ 4.19Å; L76-F80 WeakPolarHBondContact O-CB 3.3Å; L76-F80 WeakPolarHBondContact O-CD2 3.43Å; L76-F80 WeakPolarHBondContact O-CG 3.22Å; L76-F80 PolarHBondContact O-N 2.87Å; L77-F80 PolarHBondContact O-N 2.94Å; F80-I82 PolarHBondContact O-N 3.19Å; F80-F83 HydrophobicContact CB-CD2 4.07Å; F80-F83 HydrophobicContact CB-CE2 4.39Å; F80-F83 HydrophobicContact CD1-CD2 4.37Å; F80-F83 AromaticContact CD1-CE2 3.85Å; F80-F83 HydrophobicContact CD1-CE2 3.85Å; F80-F83 HydrophobicContact CG-CE2 4.38Å; F80-F83 WeakPolarHBondContact O-CB 3.43Å; F80-F83 VanDerWaalsContact O-CD2 3.27Å; F80-F83 WeakPolarHBondContact O-CD2 3.36Å; F80-F83 PolarHBondContact O-N 2.9Å; F80-I132 HydrophobicContact CD2-CG2 4.35Å; F80-I132 HydrophobicContact CE2-CG2 3.9Å; F80-I132 WeakPolarHBondContact CE2-O 3.43Å; F80-L135 HydrophobicContact CB-CB 4.43Å; F80-L135 HydrophobicContact CB-CD1 3.91Å; F80-L135 HydrophobicContact CD1-CB 4.29Å; F80-L135 HydrophobicContact CD2-CB 3.61Å; F80-L135 HydrophobicContact CD2-CD1 3.74Å; F80-L135 HydrophobicContact CD2-CG 4.29Å; F80-L135 HydrophobicContact CE1-CB 4.47Å; F80-L135 HydrophobicContact CE2-CB 3.8Å; F80-L135 HydrophobicContact CG-CB 3.87Å; F80-L135 HydrophobicContact CG-CD1 4.09Å; F80-L135 HydrophobicContact CG-CG 4.5Å; F80-L135 HydrophobicContact CZ-CB 4.23Å; F80-F136 AromaticContact CE2-CD2 3.92Å; F80-F136 HydrophobicContact CE2-CD2 3.92Å; F80-F136 AromaticContact CE2-CE2 3.79Å; F80-F136 HydrophobicContact CE2-CE2 3.79Å; F80-F136 HydrophobicContact CE2-CZ 4.29Å; F80-F136 AromaticContact CZ-CD1 3.95Å; F80-F136 HydrophobicContact CZ-CD1 3.95Å; F80-F136 AromaticContact CZ-CD2 3.58Å; F80-F136 HydrophobicContact CZ-CD2 3.58Å; F80-F136 AromaticContact CZ-CE1 3.92Å; F80-F136 HydrophobicContact CZ-CE1 3.92Å; F80-F136 AromaticContact CZ-CE2 3.58Å; F80-F136 HydrophobicContact CZ-CE2 3.58Å; F80-F136 AromaticContact CZ-CG 3.8Å; F80-F136 HydrophobicContact CZ-CG 3.8Å; F80-F136 AromaticContact CZ-CZ 3.75Å; F80-F136 HydrophobicContact CZ-CZ 3.75Å; F80-Y139 AromaticContact CD1-CD2 3.58Å; F80-Y139 HydrophobicContact CD1-CD2 3.58Å; F80-Y139 HydrophobicContact CD1-CE2 4.19Å; F80-Y139 HydrophobicContact CD1-CG 4.17Å; F80-Y139 HydrophobicContact CE1-CD1 4.31Å; F80-Y139 AromaticContact CE1-CD2 3.47Å; F80-Y139 HydrophobicContact CE1-CD2 3.47Å; F80-Y139 VanDerWaalsContact CE1-CD2 3.47Å; F80-Y139 HydrophobicContact CE1-CE2 4.14Å; F80-Y139 AromaticContact CE1-CG 3.61Å; F80-Y139 HydrophobicContact CE1-CG 3.61Å
81R87.3Confident88.4Confident17 Ų1743.6 Ų43.66%0.06421%0.207CC..Hα-helixtrans-48.8-26.6165.8-171.9-176.571.4-174.1-2.9113.7G9 T13 T16 L77 Y78 Y79 F83 E84 R85G9-R81 PolarHBondContact O-NH1 3.49Å; G9-R81 PolarHBondContact O-NH2 2.78Å; T13-R81 VanDerWaalsContact CB-CG 3.5Å; T13-R81 HydrophobicContact CG2-CG 3.2Å; T13-R81 WeakPolarHBondContact OG1-CD 3.43Å; T16-R81 HydrophobicContact CG2-CB 4.15Å; T16-R81 HydrophobicContact CG2-CG 4.35Å; L77-R81 PolarHBondContact O-N 3.26Å; L77-R81 VanDerWaalsContact O-N 3.11Å; Y78-R81 WeakPolarHBondContact O-CB 3.14Å; Y78-R81 PolarHBondContact OH-NH2 3.07Å; Y79-R81 PolarHBondContact O-N 3.06Å; R81-F83 PolarHBondContact O-N 3.39Å; R81-E84 PolarHBondContact O-N 3.21Å; R81-E84 VanDerWaalsContact O-N 3.12Å; R81-R85 PolarHBondContact O-N 3.4Å
82I86.5Confident88.3Confident48 Ų4839.8 Ų39.825%0.24618%0.184CC..Hα-helixtrans-53.3-34.5174.6-170.260.2000112.3Y79 F80 R85 R86 I143Y79-I82 WeakPolarHBondContact O-CG2 3.4Å; Y79-I82 PolarHBondContact O-N 2.83Å; F80-I82 PolarHBondContact O-N 3.19Å; I82-R85 PolarHBondContact O-N 3.49Å; I82-R86 HydrophobicContact CG1-CG 4.4Å; I82-R86 VanDerWaalsContact O-CG 3.22Å; I82-R86 WeakPolarHBondContact O-CG 3.13Å; I82-R86 PolarHBondContact O-N 2.86Å; I82-I143 HydrophobicContact CG2-CD1 3.75Å
83F88.6Confident88Confident3 Ų341.9 Ų41.91%0.01319%0.194CC..Hα-helixtrans-69.2-39.7177.7-66.1-64.1000112.9F80 R81 R85 R86 Y87 F92 L135 P138 Y139 I143F80-F83 HydrophobicContact CB-CD2 4.07Å; F80-F83 HydrophobicContact CB-CE2 4.39Å; F80-F83 HydrophobicContact CD1-CD2 4.37Å; F80-F83 AromaticContact CD1-CE2 3.85Å; F80-F83 HydrophobicContact CD1-CE2 3.85Å; F80-F83 HydrophobicContact CG-CE2 4.38Å; F80-F83 WeakPolarHBondContact O-CB 3.43Å; F80-F83 VanDerWaalsContact O-CD2 3.27Å; F80-F83 WeakPolarHBondContact O-CD2 3.36Å; F80-F83 PolarHBondContact O-N 2.9Å; R81-F83 PolarHBondContact O-N 3.39Å; F83-R85 PolarHBondContact O-N 3.34Å; F83-R86 PolarHBondContact O-N 3.36Å; F83-R86 VanDerWaalsContact O-N 3.17Å; F83-Y87 HydrophobicContact CB-CD2 4.02Å; F83-Y87 HydrophobicContact CB-CE2 3.95Å; F83-Y87 HydrophobicContact CD1-CD2 4.44Å; F83-Y87 AromaticContact CD1-CE2 3.64Å; F83-Y87 HydrophobicContact CD1-CE2 3.64Å; F83-Y87 AromaticContact CD1-CZ 3.86Å; F83-Y87 HydrophobicContact CG-CE2 4.15Å; F83-Y87 WeakPolarHBondContact O-CB 3.3Å; F83-Y87 PolarHBondContact O-N 3.47Å; F83-F92 HydrophobicContact CB-CD2 3.98Å; F83-F92 HydrophobicContact CB-CE2 3.9Å; F83-L135 HydrophobicContact CD2-CD2 3.62Å; F83-L135 HydrophobicContact CE2-CB 4.39Å; F83-L135 HydrophobicContact CE2-CD2 4.07Å; F83-L135 HydrophobicContact CG-CD2 4.23Å; F83-P138 HydrophobicContact CE1-CB 3.92Å; F83-P138 HydrophobicContact CE1-CG 4.29Å; F83-P138 HydrophobicContact CZ-CB 4.04Å; F83-P138 HydrophobicContact CZ-CG 4.07Å; F83-Y139 HydrophobicContact CE2-CD2 4.04Å; F83-Y139 HydrophobicContact CZ-CD2 4.15Å; F83-Y139 HydrophobicContact CZ-CG 4.48Å; F83-I143 HydrophobicContact CE1-CD1 4.37Å; F83-I143 HydrophobicContact CZ-CD1 3.99Å
84E87.2Confident87.9Confident2 Ų242.3 Ų42.31%0.00920%0.197CC..Hα-helixtrans-58.7-39.4174.9-170.1-178.4179.900110.7T13 T14 V15 T16 R81 G88 F92T13-E84 VanDerWaalsContact C-OE1 3.31Å; T13-E84 WeakPolarHBondContact CA-OE1 3.22Å; T13-E84 WeakPolarHBondContact CA-OE2 3.37Å; T13-E84 WeakPolarHBondContact CB-OE2 3.5Å; T13-E84 HydrophobicContact CG2-CB 4.49Å; T14-E84 PolarHBondContact N-OE1 3.43Å; T14-E84 VanDerWaalsContact N-OE1 3.1Å; V15-E84 VanDerWaalsContact CB-OE1 3.28Å; V15-E84 WeakPolarHBondContact CB-OE1 3.42Å; V15-E84 WeakPolarHBondContact CG2-OE1 3.39Å; V15-E84 PolarHBondContact N-OE1 3.48Å; T16-E84 VanDerWaalsContact CB-OE2 3.32Å; T16-E84 WeakPolarHBondContact CB-OE2 3.43Å; T16-E84 PolarHBondContact N-OE2 3.2Å; T16-E84 PolarHBondContact OG1-OE2 3.43Å; T16-E84 VanDerWaalsContact OG1-OE2 3.05Å; R81-E84 PolarHBondContact O-N 3.21Å; R81-E84 VanDerWaalsContact O-N 3.12Å; E84-G88 CarbonylContact O-C 3.59Å; E84-G88 WeakPolarHBondContact O-CA 3.36Å; E84-G88 PolarHBondContact O-N 3.43Å; E84-F92 HydrophobicContact CB-CB 4.34Å; E84-F92 HydrophobicContact CB-CD1 3.68Å; E84-F92 HydrophobicContact CB-CD2 4.23Å; E84-F92 HydrophobicContact CB-CE1 3.95Å; E84-F92 HydrophobicContact CB-CE2 4.5Å; E84-F92 HydrophobicContact CB-CG 3.82Å; E84-F92 HydrophobicContact CB-CZ 4.37Å; E84-F92 HydrophobicContact CG-CB 4.23Å; E84-F92 HydrophobicContact CG-CD1 3.67Å; E84-F92 HydrophobicContact CG-CE1 4.26Å; E84-F92 HydrophobicContact CG-CG 4.04Å
85R85.3Confident87.8Confident61 Ų6141.8 Ų41.823%0.2319%0.192CC..Hα-helixtrans-69-37.3177-65.9-175.7168.9167.2-0.2113.2H7 G9 Y11 T13 R81 I82 F83H7-R85 PolarHBondContact O-NH1 2.84Å; H7-R85 PolarHBondContact O-NH2 3.31Å; H7-R85 VanDerWaalsContact O-NH2 3.11Å; G9-R85 PolarHBondContact O-NH2 2.91Å; Y11-R85 PolarHBondContact O-NE 3Å; Y11-R85 PolarHBondContact O-NH2 3.18Å; T13-R85 HydrophobicContact CG2-CG 3.45Å; T13-R85 VanDerWaalsContact CG2-CG 3.45Å; R81-R85 PolarHBondContact O-N 3.4Å; I82-R85 PolarHBondContact O-N 3.49Å; F83-R85 PolarHBondContact O-N 3.34Å
86R86Confident87.8Confident162 Ų16239.5 Ų39.561%0.61118%0.18SC*.Hα-helixtrans-79-45.6-176.9-68.7-77.1-179.2174.4-1.1112.5I82 F83I82-R86 HydrophobicContact CG1-CG 4.4Å; I82-R86 VanDerWaalsContact O-CG 3.22Å; I82-R86 WeakPolarHBondContact O-CG 3.13Å; I82-R86 PolarHBondContact O-N 2.86Å; F83-R86 PolarHBondContact O-N 3.36Å; F83-R86 VanDerWaalsContact O-N 3.17Å
87Y83.7Confident87.6Confident57 Ų5744.8 Ų44.822%0.22420%0.203CC..Hα-helixtrans-86-21.4-177.5-59.1-34.2000113F83 K91 D142F83-Y87 HydrophobicContact CB-CD2 4.02Å; F83-Y87 HydrophobicContact CB-CE2 3.95Å; F83-Y87 HydrophobicContact CD1-CD2 4.44Å; F83-Y87 AromaticContact CD1-CE2 3.64Å; F83-Y87 HydrophobicContact CD1-CE2 3.64Å; F83-Y87 AromaticContact CD1-CZ 3.86Å; F83-Y87 HydrophobicContact CG-CE2 4.15Å; F83-Y87 WeakPolarHBondContact O-CB 3.3Å; F83-Y87 PolarHBondContact O-N 3.47Å; Y87-K91 HydrophobicContact CG-CD 4.49Å; Y87-D142 PolarHBondContact OH-OD2 3.39Å
88G84.6Confident87.5Confident32 Ų3244.9 Ų44.933%0.3320%0.203SC..  trans80.3150.5-168.100000112E84 R90 K91 F92E84-G88 CarbonylContact O-C 3.59Å; E84-G88 WeakPolarHBondContact O-CA 3.36Å; E84-G88 PolarHBondContact O-N 3.43Å; G88-R90 VanDerWaalsContact C-N 3.27Å; G88-R90 PolarHBondContact O-N 3.46Å; G88-R90 VanDerWaalsContact O-N 3.13Å; G88-K91 PolarHBondContact O-N 2.82Å; G88-F92 WeakPolarHBondContact O-CB 3.25Å; G88-F92 PolarHBondContact O-N 3.48Å
89S84.4Confident87.7Confident46 Ų4640.9 Ų40.932%0.32219%0.187SC..Hα-helixtrans-51.5-39.6-174.8170.30000113.9V15 L93V15-S89 WeakPolarHBondContact CG2-OG 3.32Å; S89-L93 WeakPolarHBondContact O-CB 3.07Å; S89-L93 PolarHBondContact O-N 2.99Å
90R84.8Confident87.7Confident82 Ų8238.5 Ų38.531%0.30918%0.183SC..Hα-helixtrans-59.7-53.8178.2174.1156.9-165-142.8-2.8113.3G88 S94 F203 I208G88-R90 VanDerWaalsContact C-N 3.27Å; G88-R90 PolarHBondContact O-N 3.46Å; G88-R90 VanDerWaalsContact O-N 3.13Å; R90-S94 PolarHBondContact O-N 3.4Å; R90-S94 PolarHBondContact O-OG 3.41Å; R90-F203 VanDerWaalsContact CZ-O 3.24Å; R90-F203 PolarHBondContact NE-O 2.94Å; R90-F203 PolarHBondContact NH2-O 2.87Å; R90-I208 HydrophobicContact CB-CD1 3.56Å; R90-I208 HydrophobicContact CG-CD1 3.28Å
91K86.3Confident87.7Confident68 Ų6840.7 Ų40.730%0.29620%0.201SC..Hα-helixtrans-73-35.3-176.9-174.5176.8-177.9-178.10110Y87 G88 S94 F95Y87-K91 HydrophobicContact CG-CD 4.49Å; G88-K91 PolarHBondContact O-N 2.82Å; K91-S94 WeakPolarHBondContact O-CB 3.31Å; K91-S94 PolarHBondContact O-N 3.13Å; K91-F95 WeakPolarHBondContact O-CB 3.39Å; K91-F95 PolarHBondContact O-N 3.4Å
92F88.6Confident87.8Confident5 Ų541.2 Ų41.22%0.02221%0.206CC..Hα-helixtrans-62.7-46.3174.9-176.3-110.5000112.7V15 T16 F83 E84 G88 S94 F95 L96 L135V15-F92 HydrophobicContact CB-CD1 4.2Å; V15-F92 HydrophobicContact CB-CE1 4.43Å; V15-F92 HydrophobicContact CG1-CD1 4.06Å; V15-F92 HydrophobicContact CG1-CE1 4.14Å; T16-F92 WeakPolarHBondContact OG1-CE1 3.35Å; F83-F92 HydrophobicContact CB-CD2 3.98Å; F83-F92 HydrophobicContact CB-CE2 3.9Å; E84-F92 HydrophobicContact CB-CB 4.34Å; E84-F92 HydrophobicContact CB-CD1 3.68Å; E84-F92 HydrophobicContact CB-CD2 4.23Å; E84-F92 HydrophobicContact CB-CE1 3.95Å; E84-F92 HydrophobicContact CB-CE2 4.5Å; E84-F92 HydrophobicContact CB-CG 3.82Å; E84-F92 HydrophobicContact CB-CZ 4.37Å; E84-F92 HydrophobicContact CG-CB 4.23Å; E84-F92 HydrophobicContact CG-CD1 3.67Å; E84-F92 HydrophobicContact CG-CE1 4.26Å; E84-F92 HydrophobicContact CG-CG 4.04Å; G88-F92 WeakPolarHBondContact O-CB 3.25Å; G88-F92 PolarHBondContact O-N 3.48Å; F92-S94 VanDerWaalsContact C-N 3.3Å; F92-S94 PolarHBondContact O-N 3.01Å; F92-F95 WeakPolarHBondContact O-CB 3.5Å; F92-F95 PolarHBondContact O-N 2.8Å; F92-L96 HydrophobicContact CD1-CD1 4.04Å; F92-L96 HydrophobicContact CD1-CG 4.44Å; F92-L96 HydrophobicContact CE1-CD1 3.58Å; F92-L96 HydrophobicContact CE1-CD2 4.46Å; F92-L96 HydrophobicContact CE1-CG 4.1Å; F92-L96 HydrophobicContact CE2-CD2 4.37Å; F92-L96 HydrophobicContact CE2-CG 4.48Å; F92-L96 HydrophobicContact CZ-CD1 3.99Å; F92-L96 HydrophobicContact CZ-CD2 4.02Å; F92-L96 HydrophobicContact CZ-CG 4.12Å; F92-L96 WeakPolarHBondContact O-CG 3.08Å; F92-L96 PolarHBondContact O-N 2.9Å; F92-L135 HydrophobicContact CE2-CD2 4.24Å
93L88Confident88.1Confident52 Ų5238.9 Ų38.927%0.27219%0.194SC..Hα-helixtrans-61.2-40.7175.4-176.468.3000112.1V15 S89 F95 L96 F97 F203V15-L93 HydrophobicContact CG1-CD1 4.15Å; S89-L93 WeakPolarHBondContact O-CB 3.07Å; S89-L93 PolarHBondContact O-N 2.99Å; L93-F95 VanDerWaalsContact C-N 3.32Å; L93-F95 PolarHBondContact O-N 3.34Å; L93-L96 PolarHBondContact O-N 3.43Å; L93-F97 PolarHBondContact O-N 3.07Å; L93-F203 HydrophobicContact CD2-CD1 4.13Å; L93-F203 HydrophobicContact CD2-CE1 4.36Å; L93-F203 HydrophobicContact CD2-CG 4.2Å; L93-F203 HydrophobicContact CG-CD2 4.4Å; L93-F203 HydrophobicContact CG-CE2 4.39Å
94S89.5Confident88.2Confident9 Ų939.9 Ų39.96%0.06320%0.2CC..Hα-helixtrans-61.3-42.1175.7-56.90000112R90 K91 F92 F97 Y98 L201 F203R90-S94 PolarHBondContact O-N 3.4Å; R90-S94 PolarHBondContact O-OG 3.41Å; K91-S94 WeakPolarHBondContact O-CB 3.31Å; K91-S94 PolarHBondContact O-N 3.13Å; F92-S94 VanDerWaalsContact C-N 3.3Å; F92-S94 PolarHBondContact O-N 3.01Å; S94-F97 PolarHBondContact O-N 3.21Å; S94-Y98 PolarHBondContact O-N 2.78Å; S94-L201 WeakPolarHBondContact CB-O 3.38Å; S94-L201 PolarHBondContact OG-O 3.25Å; S94-F203 PolarHBondContact OG-N 3.4Å
95F89.6Confident88.3Confident2 Ų246 Ų461%0.00923%0.227CC..Hα-helixtrans-63.1-46.7174.2172-99.3000111.9K91 F92 L93 F97 Y98 C99 L135 P138 Y190K91-F95 WeakPolarHBondContact O-CB 3.39Å; K91-F95 PolarHBondContact O-N 3.4Å; F92-F95 WeakPolarHBondContact O-CB 3.5Å; F92-F95 PolarHBondContact O-N 2.8Å; L93-F95 VanDerWaalsContact C-N 3.32Å; L93-F95 PolarHBondContact O-N 3.34Å; F95-F97 VanDerWaalsContact C-N 3.33Å; F95-F97 PolarHBondContact O-N 3.4Å; F95-Y98 WeakPolarHBondContact O-CB 3.46Å; F95-Y98 PolarHBondContact O-N 2.85Å; F95-C99 VanDerWaalsContact CE1-SG 3.55Å; F95-C99 WeakPolarHBondContact CE2-SG 3.3Å; F95-C99 WeakPolarHBondContact CZ-SG 3.35Å; F95-C99 PolarHBondContact O-N 3.24Å; F95-C99 PolarHBondContact O-SG 3.46Å; F95-C99 VanDerWaalsContact O-SG 3.39Å; F95-L135 HydrophobicContact CD1-CD2 4.02Å; F95-L135 HydrophobicContact CE1-CD2 3.25Å; F95-L135 HydrophobicContact CE1-CG 3.79Å; F95-L135 HydrophobicContact CZ-CD2 4.03Å; F95-L135 HydrophobicContact CZ-CG 4.46Å; F95-P138 HydrophobicContact CZ-CG 4.5Å; F95-Y190 AromaticContact CD2-CD1 3.78Å; F95-Y190 HydrophobicContact CD2-CD1 3.78Å; F95-Y190 AromaticContact CD2-CD2 3.85Å; F95-Y190 HydrophobicContact CD2-CD2 3.85Å; F95-Y190 AromaticContact CD2-CE1 3.45Å; F95-Y190 HydrophobicContact CD2-CE1 3.45Å; F95-Y190 VanDerWaalsContact CD2-CE1 3.45Å; F95-Y190 AromaticContact CD2-CE2 3.56Å; F95-Y190 HydrophobicContact CD2-CE2 3.56Å; F95-Y190 AromaticContact CD2-CG 3.95Å; F95-Y190 HydrophobicContact CD2-CG 3.95Å; F95-Y190 AromaticContact CD2-CZ 3.32Å; F95-Y190 AromaticContact CE2-CD1 3.38Å; F95-Y190 HydrophobicContact CE2-CD1 3.38Å; F95-Y190 AromaticContact CE2-CD2 3.98Å; F95-Y190 HydrophobicContact CE2-CD2 3.98Å; F95-Y190 AromaticContact CE2-CE1 3.5Å; F95-Y190 HydrophobicContact CE2-CE1 3.5Å; F95-Y190 HydrophobicContact CE2-CE2 4.11Å; F95-Y190 AromaticContact CE2-CG 3.61Å; F95-Y190 HydrophobicContact CE2-CG 3.61Å; F95-Y190 AromaticContact CE2-CZ 3.87Å
96L90.4Very high88.6Confident16 Ų1644.2 Ų44.28%0.08422%0.223CC..Hα-helixtrans-58.5-45.3177.2-69.2178.8000111.6V15 F92 L93 Y98 C99 A100 L131V15-L96 HydrophobicContact CG1-CD1 4.04Å; F92-L96 HydrophobicContact CD1-CD1 4.04Å; F92-L96 HydrophobicContact CD1-CG 4.44Å; F92-L96 HydrophobicContact CE1-CD1 3.58Å; F92-L96 HydrophobicContact CE1-CD2 4.46Å; F92-L96 HydrophobicContact CE1-CG 4.1Å; F92-L96 HydrophobicContact CE2-CD2 4.37Å; F92-L96 HydrophobicContact CE2-CG 4.48Å; F92-L96 HydrophobicContact CZ-CD1 3.99Å; F92-L96 HydrophobicContact CZ-CD2 4.02Å; F92-L96 HydrophobicContact CZ-CG 4.12Å; F92-L96 WeakPolarHBondContact O-CG 3.08Å; F92-L96 PolarHBondContact O-N 2.9Å; L93-L96 PolarHBondContact O-N 3.43Å; L96-Y98 VanDerWaalsContact C-N 3.33Å; L96-Y98 PolarHBondContact O-N 2.95Å; L96-C99 PolarHBondContact O-N 2.88Å; L96-A100 PolarHBondContact O-N 3.49Å; L96-L131 HydrophobicContact CB-CD2 4.02Å; L96-L131 HydrophobicContact CD2-CB 4.45Å; L96-L131 HydrophobicContact CD2-CD2 4.08Å; L96-L131 WeakPolarHBondContact O-CD2 3.5Å
97F88.9Confident88.9Confident110 Ų11036.7 Ų36.748%0.48220%0.195SC..Hα-helixtrans-62-41.9177.7-175.2-97.1000112.4L93 S94 F95 A100 A101 L201 F203L93-F97 PolarHBondContact O-N 3.07Å; S94-F97 PolarHBondContact O-N 3.21Å; F95-F97 VanDerWaalsContact C-N 3.33Å; F95-F97 PolarHBondContact O-N 3.4Å; F97-A100 PolarHBondContact O-N 3.03Å; F97-A101 WeakPolarHBondContact O-CB 3.46Å; F97-A101 PolarHBondContact O-N 3.31Å; F97-L201 HydrophobicContact CD1-CD2 3.99Å; F97-L201 HydrophobicContact CE1-CD2 4.35Å; F97-F203 HydrophobicContact CB-CE2 3.58Å; F97-F203 HydrophobicContact CB-CZ 4.04Å; F97-F203 HydrophobicContact CD1-CE2 4.33Å; F97-F203 HydrophobicContact CD2-CE2 4.42Å; F97-F203 HydrophobicContact CD2-CZ 4.09Å; F97-F203 AromaticContact CG-CE2 3.86Å; F97-F203 HydrophobicContact CG-CE2 3.86Å; F97-F203 AromaticContact CG-CZ 3.99Å; F97-F203 HydrophobicContact CG-CZ 3.99Å
98Y90.3Very high89.1Confident12 Ų1236.1 Ų36.15%0.04720%0.195CC..Hα-helixtrans-60.4-46.2174.1172.3-92.9000111.9S94 F95 L96 A101 T102 T186 Y190 V197 L201S94-Y98 PolarHBondContact O-N 2.78Å; F95-Y98 WeakPolarHBondContact O-CB 3.46Å; F95-Y98 PolarHBondContact O-N 2.85Å; L96-Y98 VanDerWaalsContact C-N 3.33Å; L96-Y98 PolarHBondContact O-N 2.95Å; Y98-A101 PolarHBondContact O-N 3.03Å; Y98-T102 WeakPolarHBondContact CD2-OG1 3.49Å; Y98-T102 HydrophobicContact CE1-CG2 4.48Å; Y98-T102 WeakPolarHBondContact CE2-OG1 3.31Å; Y98-T102 VanDerWaalsContact CZ-OG1 3.31Å; Y98-T102 VanDerWaalsContact O-CB 3.24Å; Y98-T102 WeakPolarHBondContact O-CB 3.46Å; Y98-T102 PolarHBondContact O-N 3.43Å; Y98-T102 PolarHBondContact O-OG1 2.91Å; Y98-T186 HydrophobicContact CE1-CG2 4.4Å; Y98-Y190 AromaticContact CD1-CD2 3.58Å; Y98-Y190 HydrophobicContact CD1-CD2 3.58Å; Y98-Y190 HydrophobicContact CD1-CE2 4.38Å; Y98-Y190 HydrophobicContact CD1-CG 4.32Å; Y98-Y190 AromaticContact CE1-CD2 3.66Å; Y98-Y190 HydrophobicContact CE1-CD2 3.66Å; Y98-Y190 HydrophobicContact CE1-CG 4.16Å; Y98-Y190 HydrophobicContact CG-CD2 4.3Å; Y98-V197 HydrophobicContact CD2-CB 4.3Å; Y98-V197 HydrophobicContact CD2-CG1 3.31Å; Y98-V197 HydrophobicContact CD2-CG2 4.1Å; Y98-V197 HydrophobicContact CE2-CB 4.19Å; Y98-V197 HydrophobicContact CE2-CG1 3.68Å; Y98-V197 HydrophobicContact CE2-CG2 3.56Å; Y98-V197 HydrophobicContact CG-CG1 3.8Å; Y98-L201 HydrophobicContact CD2-CD1 4.17Å
99C91.5Very high89.4Confident0 Ų038.7 Ų38.70%020%0.201CC..Hα-helixtrans-61.1-45.4176.9-72.80000111.3F95 L96 A101 T103 L131 P134F95-C99 VanDerWaalsContact CE1-SG 3.55Å; F95-C99 WeakPolarHBondContact CE2-SG 3.3Å; F95-C99 WeakPolarHBondContact CZ-SG 3.35Å; F95-C99 PolarHBondContact O-N 3.24Å; F95-C99 PolarHBondContact O-SG 3.46Å; F95-C99 VanDerWaalsContact O-SG 3.39Å; L96-C99 PolarHBondContact O-N 2.88Å; C99-A101 PolarHBondContact O-N 3.38Å; C99-T103 WeakPolarHBondContact O-CB 3.25Å; C99-T103 PolarHBondContact O-N 3.39Å; C99-T103 PolarHBondContact O-OG1 3.23Å; C99-L131 HydrophobicContact CB-CD2 4.1Å; C99-P134 HydrophobicContact CB-CB 4.15Å; C99-P134 HydrophobicContact CB-CG 4.07Å; C99-P134 VanDerWaalsContact SG-CB 3.54Å
100A90.2Very high89.6Confident24 Ų2439.8 Ų39.820%0.19820%0.202CC..Hα-helixtrans-58-50.8177.400000111.6L96 F97 T104 L131L96-A100 PolarHBondContact O-N 3.49Å; F97-A100 PolarHBondContact O-N 3.03Å; A100-T104 WeakPolarHBondContact O-CB 3.42Å; A100-T104 WeakPolarHBondContact O-CG2 3.39Å; A100-T104 PolarHBondContact O-N 3.21Å; A100-T104 VanDerWaalsContact O-N 3.12Å; A100-T104 PolarHBondContact O-OG1 2.92Å; A100-L131 HydrophobicContact CB-CD2 3.82Å
101A89.7Confident89.8Confident47 Ų4736.1 Ų36.139%0.38819%0.189SC..Hα-helixtrans-70.8-37.5-176.400000113.5F97 Y98 C99 T104 F105F97-A101 WeakPolarHBondContact O-CB 3.46Å; F97-A101 PolarHBondContact O-N 3.31Å; Y98-A101 PolarHBondContact O-N 3.03Å; C99-A101 PolarHBondContact O-N 3.38Å; A101-T104 PolarHBondContact O-OG1 3.19Å; A101-F105 WeakPolarHBondContact O-CB 3.49Å; A101-F105 PolarHBondContact O-N 2.94Å
102T90.2Very high89.9Confident27 Ų2737.9 Ų37.917%0.16620%0.197CC..Hα-helixtrans-79.1-40.8-178.1-50.70000110.8Y98 F105 V106 T186Y98-T102 WeakPolarHBondContact CD2-OG1 3.49Å; Y98-T102 HydrophobicContact CE1-CG2 4.48Å; Y98-T102 WeakPolarHBondContact CE2-OG1 3.31Å; Y98-T102 VanDerWaalsContact CZ-OG1 3.31Å; Y98-T102 VanDerWaalsContact O-CB 3.24Å; Y98-T102 WeakPolarHBondContact O-CB 3.46Å; Y98-T102 PolarHBondContact O-N 3.43Å; Y98-T102 PolarHBondContact O-OG1 2.91Å; T102-F105 PolarHBondContact O-N 2.92Å; T102-V106 HydrophobicContact CG2-CG2 4.47Å; T102-V106 VanDerWaalsContact O-CG2 3.3Å; T102-V106 WeakPolarHBondContact O-CG2 3.47Å; T102-V106 PolarHBondContact O-N 3.18Å; T102-T186 HydrophobicContact CG2-CG2 3.7Å
103T92.5Very high89.9Confident0 Ų041.1 Ų41.10%021%0.214CC..Hα-helixtrans-66.1-41.6177.6-54.40000110.8C99 F105 V106 E107 N130 P134 T186C99-T103 WeakPolarHBondContact O-CB 3.25Å; C99-T103 PolarHBondContact O-N 3.39Å; C99-T103 PolarHBondContact O-OG1 3.23Å; T103-F105 VanDerWaalsContact C-N 3.31Å; T103-F105 PolarHBondContact O-N 2.9Å; T103-V106 PolarHBondContact O-N 3.38Å; T103-E107 HydrophobicContact CG2-CG 4.23Å; T103-E107 WeakPolarHBondContact CG2-OE1 3.42Å; T103-E107 WeakPolarHBondContact O-CB 3.43Å; T103-E107 VanDerWaalsContact O-CG 3.26Å; T103-E107 WeakPolarHBondContact O-CG 3.45Å; T103-E107 PolarHBondContact O-N 3.28Å; T103-N130 HydrophobicContact CG2-CB 3.64Å; T103-N130 PolarHBondContact OG1-O 3.5Å; T103-N130 VanDerWaalsContact OG1-O 3.06Å; T103-P134 WeakPolarHBondContact OG1-CG 3.47Å; T103-T186 WeakPolarHBondContact CA-OG1 3.22Å; T103-T186 WeakPolarHBondContact OG1-CB 3.3Å; T103-T186 WeakPolarHBondContact OG1-CG2 3.42Å; T103-T186 PolarHBondContact OG1-OG1 2.88Å
104T89.5Confident90Very high23 Ų2340.3 Ų40.314%0.14121%0.21CC..Hα-helixtrans-60.7-41.6173.750.10000112A100 A101 E107 L108A100-T104 WeakPolarHBondContact O-CB 3.42Å; A100-T104 WeakPolarHBondContact O-CG2 3.39Å; A100-T104 PolarHBondContact O-N 3.21Å; A100-T104 VanDerWaalsContact O-N 3.12Å; A100-T104 PolarHBondContact O-OG1 2.92Å; A101-T104 PolarHBondContact O-OG1 3.19Å; T104-E107 PolarHBondContact O-N 2.93Å; T104-L108 WeakPolarHBondContact O-CB 3.06Å; T104-L108 VanDerWaalsContact O-CG 3.25Å; T104-L108 WeakPolarHBondContact O-CG 3.39Å; T104-L108 PolarHBondContact O-N 3.34Å
105F90.6Very high89.7Confident132 Ų13246.5 Ų46.558%0.57923%0.231SC*.Hα-helixtrans-61.8-44.8176.5-178.9-100.1000111.8A101 T102 T103 L108 L109A101-F105 WeakPolarHBondContact O-CB 3.49Å; A101-F105 PolarHBondContact O-N 2.94Å; T102-F105 PolarHBondContact O-N 2.92Å; T103-F105 VanDerWaalsContact C-N 3.31Å; T103-F105 PolarHBondContact O-N 2.9Å; F105-L108 PolarHBondContact O-N 3.02Å; F105-L109 HydrophobicContact CE1-CD2 4.38Å; F105-L109 VanDerWaalsContact O-CB 3.27Å; F105-L109 WeakPolarHBondContact O-CB 3.43Å; F105-L109 PolarHBondContact O-N 3.41Å
106V91.9Very high89.6Confident23 Ų2353.5 Ų53.514%0.13926%0.262CS..Hα-helixtrans-65.4-43.9177.1173.30000111.2T102 T103 L108 L109 M110 C182T102-V106 HydrophobicContact CG2-CG2 4.47Å; T102-V106 VanDerWaalsContact O-CG2 3.3Å; T102-V106 WeakPolarHBondContact O-CG2 3.47Å; T102-V106 PolarHBondContact O-N 3.18Å; T103-V106 PolarHBondContact O-N 3.38Å; V106-L108 PolarHBondContact O-N 3.26Å; V106-L109 PolarHBondContact O-N 3.28Å; V106-M110 HydrophobicContact CG1-CG 4.15Å; V106-M110 VanDerWaalsContact O-CB 3.27Å; V106-M110 WeakPolarHBondContact O-CB 3.45Å; V106-M110 WeakPolarHBondContact O-CG 3.07Å; V106-M110 PolarHBondContact O-N 2.88Å; V106-C182 HydrophobicContact CG1-CB 3.93Å
107E90.8Very high89.5Confident4 Ų457.8 Ų57.82%0.01928%0.284CS..Hα-helixtrans-56.8-50.3175.5-76.5169.4-173.700111.3Y43 T103 T104 M110 A111 C182Y43-E107 PolarHBondContact OH-OE2 2.94Å; T103-E107 HydrophobicContact CG2-CG 4.23Å; T103-E107 WeakPolarHBondContact CG2-OE1 3.42Å; T103-E107 WeakPolarHBondContact O-CB 3.43Å; T103-E107 VanDerWaalsContact O-CG 3.26Å; T103-E107 WeakPolarHBondContact O-CG 3.45Å; T103-E107 PolarHBondContact O-N 3.28Å; T104-E107 PolarHBondContact O-N 2.93Å; E107-M110 PolarHBondContact O-N 3.2Å; E107-A111 WeakPolarHBondContact O-CB 3.23Å; E107-A111 PolarHBondContact O-N 3.31Å; E107-C182 HydrophobicContact CG-CB 3.94Å
108L88.5Confident89.2Confident45 Ų4559.8 Ų59.824%0.23630%0.3CS..Hα-helixtrans-65.1-42.2-179.9-69.8174.4000112.1I48 L57 T104 F105 V106 A111 F112I48-L108 HydrophobicContact CG2-CD2 4.05Å; L57-L108 HydrophobicContact CD1-CD1 3.97Å; L57-L108 HydrophobicContact CD2-CD2 4.49Å; T104-L108 WeakPolarHBondContact O-CB 3.06Å; T104-L108 VanDerWaalsContact O-CG 3.25Å; T104-L108 WeakPolarHBondContact O-CG 3.39Å; T104-L108 PolarHBondContact O-N 3.34Å; F105-L108 PolarHBondContact O-N 3.02Å; V106-L108 PolarHBondContact O-N 3.26Å; L108-A111 PolarHBondContact O-N 2.95Å; L108-F112 VanDerWaalsContact O-CB 3.3Å; L108-F112 WeakPolarHBondContact O-CB 3.38Å; L108-F112 PolarHBondContact O-N 3.29Å
109L90.4Very high88.7Confident85 Ų8565.3 Ų65.345%0.44532%0.324SS..Hα-helixtrans-63-46.4177.5-178.264.7000111F105 V106 F112 I113F105-L109 HydrophobicContact CE1-CD2 4.38Å; F105-L109 VanDerWaalsContact O-CB 3.27Å; F105-L109 WeakPolarHBondContact O-CB 3.43Å; F105-L109 PolarHBondContact O-N 3.41Å; V106-L109 PolarHBondContact O-N 3.28Å; L109-F112 PolarHBondContact O-N 3.03Å; L109-I113 HydrophobicContact CD1-CD1 4.49Å; L109-I113 HydrophobicContact CG-CD1 4.22Å; L109-I113 VanDerWaalsContact O-CG1 3.29Å; L109-I113 WeakPolarHBondContact O-CG1 3.4Å; L109-I113 PolarHBondContact O-N 2.97Å
110M90.2Very high87.9Confident69 Ų6969.6 Ų69.634%0.3435%0.354SS..Hα-helixtrans-68.1-40.5179-70.9-61.7-64.300111.8V106 E107 F112 I113 L114 F178V106-M110 HydrophobicContact CG1-CG 4.15Å; V106-M110 VanDerWaalsContact O-CB 3.27Å; V106-M110 WeakPolarHBondContact O-CB 3.45Å; V106-M110 WeakPolarHBondContact O-CG 3.07Å; V106-M110 PolarHBondContact O-N 2.88Å; E107-M110 PolarHBondContact O-N 3.2Å; M110-F112 VanDerWaalsContact C-N 3.33Å; M110-F112 PolarHBondContact O-N 3.01Å; M110-I113 PolarHBondContact O-N 3.3Å; M110-I113 HydrophobicContact SD-CD1 4.44Å; M110-L114 WeakPolarHBondContact O-CB 3.31Å; M110-L114 WeakPolarHBondContact O-CG 3.31Å; M110-L114 PolarHBondContact O-N 3.05Å; M110-F178 HydrophobicContact CB-CE2 3.72Å; M110-F178 HydrophobicContact CB-CZ 3.47Å; M110-F178 VanDerWaalsContact CB-CZ 3.47Å
111A88.3Confident87Confident5 Ų570.5 Ų70.54%0.04136%0.356CS..Hα-helixtrans-62.3-40.5174.200000111.6L45 F49 E107 L108 L114 R115L45-A111 HydrophobicContact CD1-CB 4.04Å; L45-A111 HydrophobicContact CD2-CB 3.95Å; F49-A111 HydrophobicContact CE2-CB 4.25Å; F49-A111 HydrophobicContact CZ-CB 4.38Å; E107-A111 WeakPolarHBondContact O-CB 3.23Å; E107-A111 PolarHBondContact O-N 3.31Å; L108-A111 PolarHBondContact O-N 2.95Å; A111-L114 PolarHBondContact O-N 2.9Å; A111-R115 WeakPolarHBondContact O-CB 3.33Å; A111-R115 PolarHBondContact O-N 3.14Å
112F87.2Confident86.2Confident105 Ų10572.5 Ų72.546%0.46136%0.357SS..Hα-helixtrans-61.8-43.9175179.4-99.8000112F49 L108 L109 M110 R115 K116F49-F112 HydrophobicContact CE1-CB 4.19Å; F49-F112 HydrophobicContact CE1-CD2 4.06Å; F49-F112 HydrophobicContact CZ-CB 4.02Å; L108-F112 VanDerWaalsContact O-CB 3.3Å; L108-F112 WeakPolarHBondContact O-CB 3.38Å; L108-F112 PolarHBondContact O-N 3.29Å; L109-F112 PolarHBondContact O-N 3.03Å; M110-F112 VanDerWaalsContact C-N 3.33Å; M110-F112 PolarHBondContact O-N 3.01Å; F112-R115 PolarHBondContact O-N 3.39Å; F112-K116 HydrophobicContact CE1-CG 4.37Å; F112-K116 HydrophobicContact CZ-CG 4.48Å; F112-K116 WeakPolarHBondContact O-CG 3.47Å; F112-K116 PolarHBondContact O-N 3.45Å; F112-K116 VanDerWaalsContact O-N 3.13Å
113I90.1Very high85.7Confident74 Ų7476.2 Ų76.238%0.37938%0.375SS..Hα-helixtrans-64.1-45.7176.4-66.5163.9000110.7L109 M110 R115 K116 L117L109-I113 HydrophobicContact CD1-CD1 4.49Å; L109-I113 HydrophobicContact CG-CD1 4.22Å; L109-I113 VanDerWaalsContact O-CG1 3.29Å; L109-I113 WeakPolarHBondContact O-CG1 3.4Å; L109-I113 PolarHBondContact O-N 2.97Å; M110-I113 PolarHBondContact O-N 3.3Å; M110-I113 HydrophobicContact SD-CD1 4.44Å; I113-R115 PolarHBondContact O-N 3.47Å; I113-K116 WeakPolarHBondContact O-CB 3.43Å; I113-K116 PolarHBondContact O-N 3.39Å; I113-K116 VanDerWaalsContact O-N 3.16Å; I113-L117 HydrophobicContact CG2-CD1 4.13Å; I113-L117 WeakPolarHBondContact O-CG 3.47Å; I113-L117 PolarHBondContact O-N 3.13Å
114L88.7Confident85.2Confident35 Ų3576.4 Ų76.418%0.18338%0.376CS..Hα-helixtrans-63.2-39.7179-74.6175.3000112.4M110 A111 K116 L117 N118 F119 L121 F178M110-L114 WeakPolarHBondContact O-CB 3.31Å; M110-L114 WeakPolarHBondContact O-CG 3.31Å; M110-L114 PolarHBondContact O-N 3.05Å; A111-L114 PolarHBondContact O-N 2.9Å; L114-K116 VanDerWaalsContact C-N 3.3Å; L114-K116 PolarHBondContact O-N 3.26Å; L114-L117 CarbonylContact O-C 3.19Å; L114-L117 WeakPolarHBondContact O-CA 3.12Å; L114-L117 PolarHBondContact O-N 2.59Å; L114-N118 PolarHBondContact O-N 3.11Å; L114-F119 HydrophobicContact CB-CB 4.19Å; L114-F119 HydrophobicContact CD2-CB 4.27Å; L114-F119 HydrophobicContact CD2-CD2 3.97Å; L114-F119 HydrophobicContact CD2-CG 4.3Å; L114-F119 PolarHBondContact O-N 3.24Å; L114-L121 HydrophobicContact CD1-CD1 3.52Å; L114-L121 HydrophobicContact CD1-CG 4.47Å; L114-F178 HydrophobicContact CD1-CD2 3.95Å; L114-F178 HydrophobicContact CD1-CE2 3.42Å; L114-F178 VanDerWaalsContact CD1-CE2 3.42Å; L114-F178 HydrophobicContact CD1-CZ 4.01Å
115R85Confident84.9Confident138 Ų13876.6 Ų76.652%0.52138%0.377SS..Hα-helixtrans-62.4-37.9174.3-171.9173.8-179.7173.52.7111.8A111 F112 I113 L117 N118A111-R115 WeakPolarHBondContact O-CB 3.33Å; A111-R115 PolarHBondContact O-N 3.14Å; F112-R115 PolarHBondContact O-N 3.39Å; I113-R115 PolarHBondContact O-N 3.47Å; R115-L117 VanDerWaalsContact C-N 3.26Å; R115-L117 PolarHBondContact O-N 2.96Å; R115-N118 PolarHBondContact O-N 3.36Å
116K86.3Confident84.6Confident150 Ų15070.5 Ų70.565%0.65235%0.351SS*.Hα-helixtrans-66.4-27.9173-73-69.3-174.9-175.60113.1F112 I113 L114 N118F112-K116 HydrophobicContact CE1-CG 4.37Å; F112-K116 HydrophobicContact CZ-CG 4.48Å; F112-K116 WeakPolarHBondContact O-CG 3.47Å; F112-K116 PolarHBondContact O-N 3.45Å; F112-K116 VanDerWaalsContact O-N 3.13Å; I113-K116 WeakPolarHBondContact O-CB 3.43Å; I113-K116 PolarHBondContact O-N 3.39Å; I113-K116 VanDerWaalsContact O-N 3.16Å; L114-K116 VanDerWaalsContact C-N 3.3Å; L114-K116 PolarHBondContact O-N 3.26Å; K116-N118 VanDerWaalsContact C-N 3.27Å
117L89.4Confident84.4Confident105 Ų10569.7 Ų69.755%0.5535%0.347SS..THydrogen-bonded Turntrans-87.210.7175.4-65.1174.9000113.3I113 L114 R115 F119I113-L117 HydrophobicContact CG2-CD1 4.13Å; I113-L117 WeakPolarHBondContact O-CG 3.47Å; I113-L117 PolarHBondContact O-N 3.13Å; L114-L117 CarbonylContact O-C 3.19Å; L114-L117 WeakPolarHBondContact O-CA 3.12Å; L114-L117 PolarHBondContact O-N 2.59Å; R115-L117 VanDerWaalsContact C-N 3.26Å; R115-L117 PolarHBondContact O-N 2.96Å; L117-F119 HydrophobicContact CB-CD2 3.79Å; L117-F119 HydrophobicContact CB-CE2 4.16Å; L117-F119 PolarHBondContact O-N 3.02Å
118N81.9Confident84.3Confident152 Ų15269.5 Ų69.581%0.81335%0.346SS*.THydrogen-bonded Turntrans62.522.2-177.6-54.2-50000114.9L114 R115 K116L114-N118 PolarHBondContact O-N 3.11Å; R115-N118 PolarHBondContact O-N 3.36Å; K116-N118 VanDerWaalsContact C-N 3.27Å
119F81Confident84.4Confident128 Ų12867.5 Ų67.556%0.56134%0.336SS*.  trans-85.1120.6168.7-72.5-78.5000110.2L114 L117 L121L114-F119 HydrophobicContact CB-CB 4.19Å; L114-F119 HydrophobicContact CD2-CB 4.27Å; L114-F119 HydrophobicContact CD2-CD2 3.97Å; L114-F119 HydrophobicContact CD2-CG 4.3Å; L114-F119 PolarHBondContact O-N 3.24Å; L117-F119 HydrophobicContact CB-CD2 3.79Å; L117-F119 HydrophobicContact CB-CE2 4.16Å; L117-F119 PolarHBondContact O-N 3.02Å; F119-L121 PolarHBondContact O-N 3.19Å
120S73.1Confident84.3Confident90 Ų9063.5 Ų63.563%0.62932%0.315SS*.  trans-86.582.1-178.9550000111.8H122S120-H122 WeakPolarHBondContact CB-NE2 3.28Å
121L71.5Confident84.4Confident44 Ų4461 Ų6123%0.2330%0.303CS..  trans-95101.5164.8-66.5-176.1000108.7L45 L114 F119 E175 F178L45-L121 HydrophobicContact CD1-CB 4.09Å; L45-L121 WeakPolarHBondContact CD1-O 3.48Å; L114-L121 HydrophobicContact CD1-CD1 3.52Å; L114-L121 HydrophobicContact CD1-CG 4.47Å; F119-L121 PolarHBondContact O-N 3.19Å; L121-E175 HydrophobicContact CD2-CG 4.09Å; L121-F178 HydrophobicContact CD1-CD1 4.25Å; L121-F178 HydrophobicContact CD1-CD2 4.3Å; L121-F178 HydrophobicContact CD1-CE1 4.44Å; L121-F178 HydrophobicContact CD1-CE2 4.49Å; L121-F178 HydrophobicContact CD1-CG 4.17Å
122H74.1Confident84.7Confident88 Ų8860.8 Ų60.841%0.40730%0.301SS..  trans-95.8-41.9-177.8-66.7-70.7000112.2N44 L45 D46 S120N44-H122 WeakPolarHBondContact CA-O 3.45Å; N44-H122 PolarHBondContact OD1-O 3.13Å; N44-H122 VanDerWaalsContact OD1-O 3.1Å; L45-H122 PolarHBondContact N-O 3.08Å; D46-H122 VanDerWaalsContact CG-ND1 3.34Å; D46-H122 IonicContact OD1-CE1 3.59Å; D46-H122 IonicContact OD1-ND1 3.01Å; D46-H122 PolarHBondContact OD1-ND1 2.92Å; D46-H122 IonicContact OD2-CE1 3.6Å; D46-H122 IonicContact OD2-CG 3.6Å; D46-H122 IonicContact OD2-ND1 2.67Å; D46-H122 PolarHBondContact OD2-ND1 2.91Å; S120-H122 WeakPolarHBondContact CB-NE2 3.28Å
123I79.6Confident85Confident106 Ų10656.1 Ų56.154%0.54428%0.28SS..EExtended strand (participates in β ladder)trans-120.9120.2-172.4-56.8168.7000108.7E175I123-E175 WeakPolarHBondContact O-CG 3.21Å
124L82Confident85.2Confident4 Ų452.6 Ų52.62%0.02126%0.262CS..EExtended strand (participates in β ladder)trans-96.2154169.1-60-171.8000110.4Y43 L45 S126 E175 F178 V179Y43-L124 HydrophobicContact CD1-CB 3.5Å; Y43-L124 HydrophobicContact CD1-CD1 3.75Å; Y43-L124 HydrophobicContact CD1-CG 3.76Å; Y43-L124 HydrophobicContact CE1-CB 4.03Å; Y43-L124 HydrophobicContact CE1-CD1 3.34Å; Y43-L124 HydrophobicContact CE1-CG 3.88Å; Y43-L124 HydrophobicContact CG-CB 4Å; Y43-L124 PolarHBondContact O-N 2.85Å; L45-L124 HydrophobicContact CD1-CD1 4.04Å; L45-L124 HydrophobicContact CD1-CD2 3.97Å; L45-L124 HydrophobicContact CD1-CG 3.76Å; L45-L124 HydrophobicContact CD2-CD1 4.17Å; L45-L124 HydrophobicContact CG-CD1 4.22Å; L45-L124 HydrophobicContact CG-CG 4.04Å; L124-S126 PolarHBondContact O-N 2.81Å; L124-E175 HydrophobicContact CD2-CB 4.15Å; L124-F178 HydrophobicContact CD1-CE1 4.48Å; L124-F178 HydrophobicContact CD2-CD1 4.14Å; L124-V179 HydrophobicContact CB-CG2 4.27Å; L124-V179 HydrophobicContact CD1-CG2 4.01Å; L124-V179 HydrophobicContact CD2-CG2 4.33Å; L124-V179 HydrophobicContact CG-CG2 4.45Å
125P83.4Confident85.5Confident26 Ų2651 Ų5117%0.16925%0.254CS..PPolyproline II helixtrans-63.9135.117531.2-40.6000110.9F129 S176 V179P125-F129 HydrophobicContact CB-CD2 4.29Å; P125-F129 HydrophobicContact CB-CE2 3.78Å; P125-F129 HydrophobicContact CG-CD2 4.23Å; P125-F129 HydrophobicContact CG-CE2 4.2Å; P125-S176 WeakPolarHBondContact CG-OG 3.47Å; P125-V179 HydrophobicContact CG-CB 4.48Å; P125-V179 HydrophobicContact CG-CG2 4.1Å
126S83.2Confident85.9Confident5 Ų545.2 Ų45.24%0.03523%0.233CC..PPolyproline II helixtrans-88.6125.5179.5-169.90000110.1F41 C60 P63 L124F41-S126 WeakPolarHBondContact O-CB 3.28Å; F41-S126 PolarHBondContact O-OG 2.78Å; C60-S126 PolarHBondContact O-OG 3.31Å; P63-S126 CarbonylContact O-C 3.44Å; L124-S126 PolarHBondContact O-N 2.81Å
127G86.9Confident86.3Confident5 Ų539 Ų395%0.05221%0.207CC..SBendtrans155.7169.2-179.100000113.8C60 Q61 P63 F129C60-G127 PolarHBondContact O-N 2.89Å; Q61-G127 CarbonylContact O-C 3.4Å; P63-G127 VanDerWaalsContact O-CA 3.23Å; P63-G127 WeakPolarHBondContact O-CA 3.19Å; P63-G127 PolarHBondContact O-N 3.37Å; G127-F129 PolarHBondContact O-N 2.88Å
128P89.1Confident86.3Confident0 Ų034.2 Ų34.20%018%0.182CC..THydrogen-bonded Turntrans-77.436.8-178.130.9-36.7000113.3F19 Q61 F64 N130 L131 I132F19-P128 HydrophobicContact CE1-CB 3.84Å; F19-P128 HydrophobicContact CE1-CG 4.13Å; F19-P128 HydrophobicContact CZ-CB 3.46Å; F19-P128 VanDerWaalsContact CZ-CB 3.46Å; F19-P128 HydrophobicContact CZ-CG 4.09Å; Q61-P128 WeakPolarHBondContact O-CA 3.26Å; Q61-P128 WeakPolarHBondContact O-CB 3.41Å; Q61-P128 VanDerWaalsContact O-CD 3.3Å; Q61-P128 WeakPolarHBondContact O-CD 3.44Å; F64-P128 HydrophobicContact CD2-CG 4.43Å; F64-P128 HydrophobicContact CE1-CG 4.01Å; F64-P128 HydrophobicContact CE2-CG 3.64Å; F64-P128 HydrophobicContact CZ-CG 3.4Å; F64-P128 VanDerWaalsContact CZ-CG 3.4Å; P128-N130 PolarHBondContact O-N 3.32Å; P128-L131 HydrophobicContact CB-CD1 4.42Å; P128-L131 PolarHBondContact O-N 2.88Å; P128-L131 VanDerWaalsContact O-N 3.11Å; P128-I132 HydrophobicContact CG-CD1 4.07Å; P128-I132 VanDerWaalsContact O-CG1 3.31Å; P128-I132 WeakPolarHBondContact O-CG1 3.25Å; P128-I132 PolarHBondContact O-N 3.42Å
129F90.4Very high86.7Confident3 Ų327.6 Ų27.61%0.01315%0.146CC..Hα-helixtrans-61.9-35.2178.3-57.1-59000111.3F64 D69 P125 G127 L131 I132 F133 I169 V179F64-F129 HydrophobicContact CD1-CE1 4.16Å; F64-F129 HydrophobicContact CD1-CZ 4.01Å; F64-F129 HydrophobicContact CE1-CD1 4.43Å; F64-F129 AromaticContact CE1-CE1 3.83Å; F64-F129 HydrophobicContact CE1-CE1 3.83Å; F64-F129 HydrophobicContact CE1-CZ 4.14Å; D69-F129 HydrophobicContact CB-CE1 4.47Å; D69-F129 HydrophobicContact CB-CZ 4.1Å; P125-F129 HydrophobicContact CB-CD2 4.29Å; P125-F129 HydrophobicContact CB-CE2 3.78Å; P125-F129 HydrophobicContact CG-CD2 4.23Å; P125-F129 HydrophobicContact CG-CE2 4.2Å; G127-F129 PolarHBondContact O-N 2.88Å; F129-L131 PolarHBondContact O-N 2.81Å; F129-L131 VanDerWaalsContact O-N 3.14Å; F129-I132 PolarHBondContact O-N 3.43Å; F129-F133 HydrophobicContact CB-CD2 3.9Å; F129-F133 HydrophobicContact CB-CE2 4.14Å; F129-F133 HydrophobicContact CD1-CD2 4.39Å; F129-F133 AromaticContact CD1-CE2 3.84Å; F129-F133 HydrophobicContact CD1-CE2 3.84Å; F129-F133 HydrophobicContact CG-CE2 4.38Å; F129-F133 WeakPolarHBondContact O-CB 3.18Å; F129-F133 WeakPolarHBondContact O-CD2 3.34Å; F129-F133 PolarHBondContact O-N 3.36Å; F129-I169 HydrophobicContact CD1-CG2 3.85Å; F129-I169 HydrophobicContact CE1-CG2 3.51Å; F129-I169 HydrophobicContact CZ-CG2 4.35Å; F129-V179 HydrophobicContact CB-CG1 3.7Å
130N89.6Confident87.2Confident2 Ų227.2 Ų27.21%0.01114%0.144CC..Hα-helixtrans-62.1-18.9176.273.9-32.1000114.4Q61 T103 P128 P134Q61-N130 PolarHBondContact NE2-ND2 2.88Å; Q61-N130 VanDerWaalsContact NE2-ND2 3.18Å; Q61-N130 PolarHBondContact OE1-ND2 3.15Å; T103-N130 HydrophobicContact CG2-CB 3.64Å; T103-N130 PolarHBondContact OG1-O 3.5Å; T103-N130 VanDerWaalsContact OG1-O 3.06Å; P128-N130 PolarHBondContact O-N 3.32Å; N130-P134 WeakPolarHBondContact O-CD 3.44Å; N130-P134 WeakPolarHBondContact O-CG 3.35Å
131L91.7Very high87.9Confident17 Ų1726.5 Ų26.59%0.08913%0.133CC..Hα-helixtrans-100.3-38.6175.7-69.9174000111.6F19 L96 C99 A100 P128 F129 L135F19-L131 HydrophobicContact CE1-CD1 4.25Å; F19-L131 HydrophobicContact CE2-CD1 3.73Å; F19-L131 HydrophobicContact CZ-CD1 3.41Å; F19-L131 VanDerWaalsContact CZ-CD1 3.41Å; L96-L131 HydrophobicContact CB-CD2 4.02Å; L96-L131 HydrophobicContact CD2-CB 4.45Å; L96-L131 HydrophobicContact CD2-CD2 4.08Å; L96-L131 WeakPolarHBondContact O-CD2 3.5Å; C99-L131 HydrophobicContact CB-CD2 4.1Å; A100-L131 HydrophobicContact CB-CD2 3.82Å; P128-L131 HydrophobicContact CB-CD1 4.42Å; P128-L131 PolarHBondContact O-N 2.88Å; P128-L131 VanDerWaalsContact O-N 3.11Å; F129-L131 PolarHBondContact O-N 2.81Å; F129-L131 VanDerWaalsContact O-N 3.14Å; L131-L135 VanDerWaalsContact O-CD1 3.31Å; L131-L135 WeakPolarHBondContact O-CD1 3.27Å
132I93.7Very high88.6Confident0 Ų028.3 Ų28.30%014%0.143CC..Hα-helixtrans-73.5-47.1-176.4-66.6169000111.4F64 L76 L77 F80 P128 F129 L135 F136F64-I132 HydrophobicContact CE1-CD1 4.29Å; F64-I132 HydrophobicContact CZ-CD1 3.76Å; L76-I132 HydrophobicContact CB-CG2 3.87Å; L76-I132 HydrophobicContact CD1-CG2 3.79Å; L76-I132 HydrophobicContact CG-CG2 4.4Å; L77-I132 HydrophobicContact CD1-CD1 4.24Å; L77-I132 HydrophobicContact CD2-CD1 4.16Å; L77-I132 HydrophobicContact CD2-CG1 3.7Å; L77-I132 HydrophobicContact CG-CD1 3.9Å; L77-I132 HydrophobicContact CG-CG1 3.98Å; F80-I132 HydrophobicContact CD2-CG2 4.35Å; F80-I132 HydrophobicContact CE2-CG2 3.9Å; F80-I132 WeakPolarHBondContact CE2-O 3.43Å; P128-I132 HydrophobicContact CG-CD1 4.07Å; P128-I132 VanDerWaalsContact O-CG1 3.31Å; P128-I132 WeakPolarHBondContact O-CG1 3.25Å; P128-I132 PolarHBondContact O-N 3.42Å; F129-I132 PolarHBondContact O-N 3.43Å; I132-L135 WeakPolarHBondContact O-CB 3.18Å; I132-L135 PolarHBondContact O-N 3.45Å; I132-F136 HydrophobicContact CG2-CE2 4.4Å
133F94.6Very high89.1Confident7 Ų725.9 Ų25.93%0.03113%0.133CC..G310 helixtrans-67.5-39.7-174.4-80.3-79.7000114.6F129 L135 F136 I169 C180F129-F133 HydrophobicContact CB-CD2 3.9Å; F129-F133 HydrophobicContact CB-CE2 4.14Å; F129-F133 HydrophobicContact CD1-CD2 4.39Å; F129-F133 AromaticContact CD1-CE2 3.84Å; F129-F133 HydrophobicContact CD1-CE2 3.84Å; F129-F133 HydrophobicContact CG-CE2 4.38Å; F129-F133 WeakPolarHBondContact O-CB 3.18Å; F129-F133 WeakPolarHBondContact O-CD2 3.34Å; F129-F133 PolarHBondContact O-N 3.36Å; F133-L135 PolarHBondContact O-N 2.89Å; F133-L135 VanDerWaalsContact O-N 3.14Å; F133-F136 HydrophobicContact CD1-CD2 4.06Å; F133-F136 HydrophobicContact CD1-CE2 4.13Å; F133-F136 HydrophobicContact CE1-CE2 4.16Å; F133-F136 WeakPolarHBondContact O-CB 3.4Å; F133-F136 PolarHBondContact O-N 3.32Å; F133-F136 VanDerWaalsContact O-N 3.08Å; F133-I169 HydrophobicContact CE2-CG2 3.75Å; F133-I169 HydrophobicContact CZ-CB 4.05Å; F133-I169 HydrophobicContact CZ-CG2 3.68Å; F133-C180 HydrophobicContact CD1-CB 3.83Å; F133-C180 HydrophobicContact CD2-CB 4.38Å; F133-C180 HydrophobicContact CE1-CB 3.82Å; F133-C180 WeakPolarHBondContact CE1-SG 3.36Å; F133-C180 HydrophobicContact CE2-CB 4.36Å; F133-C180 WeakPolarHBondContact CE2-SG 3.34Å; F133-C180 HydrophobicContact CG-CB 4.13Å; F133-C180 HydrophobicContact CZ-CB 4.12Å; F133-C180 WeakPolarHBondContact CZ-SG 3.35Å
134P95Very high89.1Confident0 Ų025.3 Ų25.30%014%0.136CC..G310 helixtrans-58.7-25.9173.6-2633.9000114.5C99 T103 N130 F136 V137 P138 G183 T186 G187C99-P134 HydrophobicContact CB-CB 4.15Å; C99-P134 HydrophobicContact CB-CG 4.07Å; C99-P134 VanDerWaalsContact SG-CB 3.54Å; T103-P134 WeakPolarHBondContact OG1-CG 3.47Å; N130-P134 WeakPolarHBondContact O-CD 3.44Å; N130-P134 WeakPolarHBondContact O-CG 3.35Å; P134-F136 VanDerWaalsContact C-N 3.26Å; P134-F136 PolarHBondContact O-N 2.81Å; P134-V137 PolarHBondContact O-N 2.9Å; P134-P138 WeakPolarHBondContact O-CD 3.36Å; P134-G183 VanDerWaalsContact CA-O 3.3Å; P134-G183 WeakPolarHBondContact CA-O 3.46Å; P134-G183 VanDerWaalsContact CG-O 3.31Å; P134-G183 WeakPolarHBondContact CG-O 3.24Å; P134-T186 HydrophobicContact CG-CG2 4.35Å; P134-G187 WeakPolarHBondContact O-CA 3.45Å
135L93.7Very high88.5Confident1 Ų133.1 Ų33.11%0.00517%0.165CC..G310 helixtrans-70.1-20.2178.2-72.6159.7000113F80 F83 F92 F95 L131 I132 F133 V137 P138 Y139F80-L135 HydrophobicContact CB-CB 4.43Å; F80-L135 HydrophobicContact CB-CD1 3.91Å; F80-L135 HydrophobicContact CD1-CB 4.29Å; F80-L135 HydrophobicContact CD2-CB 3.61Å; F80-L135 HydrophobicContact CD2-CD1 3.74Å; F80-L135 HydrophobicContact CD2-CG 4.29Å; F80-L135 HydrophobicContact CE1-CB 4.47Å; F80-L135 HydrophobicContact CE2-CB 3.8Å; F80-L135 HydrophobicContact CG-CB 3.87Å; F80-L135 HydrophobicContact CG-CD1 4.09Å; F80-L135 HydrophobicContact CG-CG 4.5Å; F80-L135 HydrophobicContact CZ-CB 4.23Å; F83-L135 HydrophobicContact CD2-CD2 3.62Å; F83-L135 HydrophobicContact CE2-CB 4.39Å; F83-L135 HydrophobicContact CE2-CD2 4.07Å; F83-L135 HydrophobicContact CG-CD2 4.23Å; F92-L135 HydrophobicContact CE2-CD2 4.24Å; F95-L135 HydrophobicContact CD1-CD2 4.02Å; F95-L135 HydrophobicContact CE1-CD2 3.25Å; F95-L135 HydrophobicContact CE1-CG 3.79Å; F95-L135 HydrophobicContact CZ-CD2 4.03Å; F95-L135 HydrophobicContact CZ-CG 4.46Å; L131-L135 VanDerWaalsContact O-CD1 3.31Å; L131-L135 WeakPolarHBondContact O-CD1 3.27Å; I132-L135 WeakPolarHBondContact O-CB 3.18Å; I132-L135 PolarHBondContact O-N 3.45Å; F133-L135 PolarHBondContact O-N 2.89Å; F133-L135 VanDerWaalsContact O-N 3.14Å; L135-V137 VanDerWaalsContact C-N 3.28Å; L135-V137 PolarHBondContact O-N 3.17Å; L135-P138 VanDerWaalsContact O-CD 3.31Å; L135-P138 WeakPolarHBondContact O-CD 3.2Å; L135-P138 WeakPolarHBondContact O-CG 3.15Å; L135-Y139 WeakPolarHBondContact O-CB 3.42Å; L135-Y139 PolarHBondContact O-N 3.47Å; L135-Y139 VanDerWaalsContact O-N 3.07Å
136F94.8Very high87.9Confident17 Ų1735.3 Ų35.38%0.07518%0.178CC..Hα-helixtrans-64.6-32.1177.4-85.4-86.5000113L76 F80 I132 F133 P134 Y139 F140 P162 Y163 L184L76-F136 HydrophobicContact CD1-CE2 4.3Å; L76-F136 HydrophobicContact CD1-CZ 4.27Å; L76-F136 HydrophobicContact CD2-CE1 4.35Å; L76-F136 HydrophobicContact CD2-CE2 4.04Å; L76-F136 HydrophobicContact CD2-CZ 3.47Å; L76-F136 VanDerWaalsContact CD2-CZ 3.47Å; F80-F136 AromaticContact CE2-CD2 3.92Å; F80-F136 HydrophobicContact CE2-CD2 3.92Å; F80-F136 AromaticContact CE2-CE2 3.79Å; F80-F136 HydrophobicContact CE2-CE2 3.79Å; F80-F136 HydrophobicContact CE2-CZ 4.29Å; F80-F136 AromaticContact CZ-CD1 3.95Å; F80-F136 HydrophobicContact CZ-CD1 3.95Å; F80-F136 AromaticContact CZ-CD2 3.58Å; F80-F136 HydrophobicContact CZ-CD2 3.58Å; F80-F136 AromaticContact CZ-CE1 3.92Å; F80-F136 HydrophobicContact CZ-CE1 3.92Å; F80-F136 AromaticContact CZ-CE2 3.58Å; F80-F136 HydrophobicContact CZ-CE2 3.58Å; F80-F136 AromaticContact CZ-CG 3.8Å; F80-F136 HydrophobicContact CZ-CG 3.8Å; F80-F136 AromaticContact CZ-CZ 3.75Å; F80-F136 HydrophobicContact CZ-CZ 3.75Å; I132-F136 HydrophobicContact CG2-CE2 4.4Å; F133-F136 HydrophobicContact CD1-CD2 4.06Å; F133-F136 HydrophobicContact CD1-CE2 4.13Å; F133-F136 HydrophobicContact CE1-CE2 4.16Å; F133-F136 WeakPolarHBondContact O-CB 3.4Å; F133-F136 PolarHBondContact O-N 3.32Å; F133-F136 VanDerWaalsContact O-N 3.08Å; P134-F136 VanDerWaalsContact C-N 3.26Å; P134-F136 PolarHBondContact O-N 2.81Å; F136-Y139 WeakPolarHBondContact O-CB 3.39Å; F136-Y139 PolarHBondContact O-N 3.45Å; F136-F140 WeakPolarHBondContact O-CB 3.07Å; F136-F140 PolarHBondContact O-N 3.35Å; F136-P162 WeakPolarHBondContact CE1-O 3.45Å; F136-P162 WeakPolarHBondContact CZ-O 3.43Å; F136-Y163 AromaticContact CD1-CD1 3.95Å; F136-Y163 HydrophobicContact CD1-CD1 3.95Å; F136-Y163 AromaticContact CD1-CE1 3.86Å; F136-Y163 HydrophobicContact CD1-CE1 3.86Å; F136-Y163 AromaticContact CE1-CD1 3.92Å; F136-Y163 HydrophobicContact CE1-CD1 3.92Å; F136-Y163 HydrophobicContact CE1-CE1 4.27Å; F136-L184 HydrophobicContact CB-CD2 3.82Å
137V93.1Very high87Confident19 Ų1938.9 Ų38.912%0.11520%0.201CC..Hα-helixtrans-65.6-56.7-179.6-179.40000112.2P134 L135 Y139 F140 L141 L184 F188P134-V137 PolarHBondContact O-N 2.9Å; L135-V137 VanDerWaalsContact C-N 3.28Å; L135-V137 PolarHBondContact O-N 3.17Å; V137-Y139 PolarHBondContact O-N 2.87Å; V137-F140 PolarHBondContact O-N 3.46Å; V137-L141 HydrophobicContact CG1-CD1 3.97Å; V137-L141 WeakPolarHBondContact O-CG 3.31Å; V137-L141 PolarHBondContact O-N 3.46Å; V137-L184 HydrophobicContact CG2-CD2 4.12Å; V137-L184 WeakPolarHBondContact CG2-O 3.39Å; V137-F188 HydrophobicContact CG1-CB 4.49Å
138P90.3Very high85.8Confident5 Ų544.1 Ų44.13%0.03223%0.232CC..Hα-helixtrans-63.6-23.7172.626.5-33.4000111.7F83 F95 P134 L135 L141 D142F83-P138 HydrophobicContact CE1-CB 3.92Å; F83-P138 HydrophobicContact CE1-CG 4.29Å; F83-P138 HydrophobicContact CZ-CB 4.04Å; F83-P138 HydrophobicContact CZ-CG 4.07Å; F95-P138 HydrophobicContact CZ-CG 4.5Å; P134-P138 WeakPolarHBondContact O-CD 3.36Å; L135-P138 VanDerWaalsContact O-CD 3.31Å; L135-P138 WeakPolarHBondContact O-CD 3.2Å; L135-P138 WeakPolarHBondContact O-CG 3.15Å; P138-L141 PolarHBondContact O-N 3.03Å; P138-D142 VanDerWaalsContact O-CB 3.24Å; P138-D142 WeakPolarHBondContact O-CB 3.39Å; P138-D142 PolarHBondContact O-N 2.89Å
139Y90.8Very high84.4Confident12 Ų1246.3 Ų46.35%0.04725%0.25CC..Hα-helixtrans-69.2-37.9176.1-171.2-90.1000112.5F80 F83 L135 F136 V137 I143 K159 P162 Y163F80-Y139 AromaticContact CD1-CD2 3.58Å; F80-Y139 HydrophobicContact CD1-CD2 3.58Å; F80-Y139 HydrophobicContact CD1-CE2 4.19Å; F80-Y139 HydrophobicContact CD1-CG 4.17Å; F80-Y139 HydrophobicContact CE1-CD1 4.31Å; F80-Y139 AromaticContact CE1-CD2 3.47Å; F80-Y139 HydrophobicContact CE1-CD2 3.47Å; F80-Y139 VanDerWaalsContact CE1-CD2 3.47Å; F80-Y139 HydrophobicContact CE1-CE2 4.14Å; F80-Y139 AromaticContact CE1-CG 3.61Å; F80-Y139 HydrophobicContact CE1-CG 3.61Å; F83-Y139 HydrophobicContact CE2-CD2 4.04Å; F83-Y139 HydrophobicContact CZ-CD2 4.15Å; F83-Y139 HydrophobicContact CZ-CG 4.48Å; L135-Y139 WeakPolarHBondContact O-CB 3.42Å; L135-Y139 PolarHBondContact O-N 3.47Å; L135-Y139 VanDerWaalsContact O-N 3.07Å; F136-Y139 WeakPolarHBondContact O-CB 3.39Å; F136-Y139 PolarHBondContact O-N 3.45Å; V137-Y139 PolarHBondContact O-N 2.87Å; Y139-I143 HydrophobicContact CD2-CD1 3.1Å; Y139-I143 HydrophobicContact CD2-CG1 4.47Å; Y139-I143 HydrophobicContact CE2-CD1 3.28Å; Y139-I143 HydrophobicContact CG-CD1 3.82Å; Y139-K159 HydrophobicContact CE1-CB 4.2Å; Y139-K159 HydrophobicContact CE1-CD 4.49Å; Y139-K159 HydrophobicContact CE1-CG 3.98Å; Y139-K159 WeakPolarHBondContact OH-CA 3.37Å; Y139-P162 HydrophobicContact CE1-CG 3.8Å; Y139-P162 HydrophobicContact CE2-CG 4.45Å; Y139-P162 WeakPolarHBondContact OH-CG 3.45Å; Y139-Y163 HydrophobicContact CD1-CE2 4.3Å; Y139-Y163 AromaticContact CD1-CZ 3.9Å; Y139-Y163 HydrophobicContact CE1-CE2 4.05Å
140F90.5Very high83.1Confident120 Ų12052.7 Ų52.753%0.52628%0.279SS..Hα-helixtrans-67.4-41.1174.5-176.6-100.4000111.6F136 V137 Y163F136-F140 WeakPolarHBondContact O-CB 3.07Å; F136-F140 PolarHBondContact O-N 3.35Å; V137-F140 PolarHBondContact O-N 3.46Å; F140-Y163 WeakPolarHBondContact CA-OH 3.4Å; F140-Y163 WeakPolarHBondContact CD2-OH 3.28Å
141L89Confident81.9Confident75 Ų7556.3 Ų56.339%0.39330%0.301SS..Hα-helixtrans-87.8-46.4-171.5-61.8170.3000114.3V137 P138 Y191V137-L141 HydrophobicContact CG1-CD1 3.97Å; V137-L141 WeakPolarHBondContact O-CG 3.31Å; V137-L141 PolarHBondContact O-N 3.46Å; P138-L141 PolarHBondContact O-N 3.03Å; L141-Y191 HydrophobicContact CB-CE2 4.29Å; L141-Y191 HydrophobicContact CD1-CD1 3.74Å; L141-Y191 HydrophobicContact CD1-CD2 3.48Å; L141-Y191 VanDerWaalsContact CD1-CD2 3.48Å; L141-Y191 HydrophobicContact CD1-CE1 3.76Å; L141-Y191 HydrophobicContact CD1-CE2 3.49Å; L141-Y191 VanDerWaalsContact CD1-CE2 3.49Å; L141-Y191 HydrophobicContact CD1-CG 3.61Å; L141-Y191 HydrophobicContact CG-CE2 4.47Å
142D85.6Confident80.7Confident82 Ų8263.8 Ų63.844%0.43934%0.338SS..Hα-helixtrans-86.2-26.9-168.7-68.4-9.2000113.3Y87 P138Y87-D142 PolarHBondContact OH-OD2 3.39Å; P138-D142 VanDerWaalsContact O-CB 3.24Å; P138-D142 WeakPolarHBondContact O-CB 3.39Å; P138-D142 PolarHBondContact O-N 2.89Å
143I84.9Confident79.4Confident37 Ų3775.4 Ų75.419%0.1938%0.382CS..SBendtrans-93.3125.3-172.9-64.1167000108.2I82 F83 Y139 K159I82-I143 HydrophobicContact CG2-CD1 3.75Å; F83-I143 HydrophobicContact CE1-CD1 4.37Å; F83-I143 HydrophobicContact CZ-CD1 3.99Å; Y139-I143 HydrophobicContact CD2-CD1 3.1Å; Y139-I143 HydrophobicContact CD2-CG1 4.47Å; Y139-I143 HydrophobicContact CE2-CD1 3.28Å; Y139-I143 HydrophobicContact CG-CD1 3.82Å; I143-K159 WeakPolarHBondContact O-CE 3.44Å; I143-K159 PolarHBondContact O-NZ 3.3Å
144P79.8Confident78.1Confident94 Ų9480.8 Ų80.861%0.6141%0.409SS*.  trans-73.8154.5176.528.8-34000111.7V146 K159P144-V146 PolarHBondContact O-N 2.92Å; P144-K159 VanDerWaalsContact O-CE 3.29Å; P144-K159 WeakPolarHBondContact O-CE 3.49Å
145W68.7Low76.6Confident169 Ų16984 Ų8464%0.6443%0.43SS*.  trans-75.3113.5173.6-74.573.2000109.6T157 K159W145-T157 HydrophobicContact CE3-CG2 4.04Å; W145-T157 HydrophobicContact CZ3-CG2 3.95Å; W145-K159 HydrophobicContact CD2-CD 4.09Å; W145-K159 HydrophobicContact CG-CD 4.18Å
146V71Confident75.2Confident72 Ų7286.4 Ų86.444%0.43644%0.443SS..  trans-120.8116.3173.6-173.20000108.2P144 T157P144-V146 PolarHBondContact O-N 2.92Å; V146-T157 PolarHBondContact O-OG1 3.31Å
147P63Low74Confident79 Ų7986.2 Ų86.251%0.51344%0.443SS..EExtended strand (participates in β ladder)trans-71.5127.6173.228.3-31.2000109.2P155P147-P155 HydrophobicContact CB-CB 4.2Å
148V62Low73Confident116 Ų11686.8 Ų86.870%0.70345%0.453SS*.EExtended strand (participates in β ladder)trans-105.2-39.2-177.8-177.80000110.9
149A61.3Low72.6Confident45 Ų4586.8 Ų86.837%0.37245%0.452SS..EExtended strand (participates in β ladder)trans-142155.2178.500000110.8P155 I156A149-P155 CarbonylContact O-C 3.55Å; A149-P155 WeakPolarHBondContact O-CA 3.43Å; A149-I156 PolarHBondContact N-O 3.09Å; A149-I156 CarbonylContact O-C 3.48Å; A149-I156 PolarHBondContact O-N 3.16Å
150H63Low72.4Confident137 Ų13787.9 Ų87.963%0.63446%0.462SS*.EExtended strand (participates in β ladder)trans-114.8116.2171.2-63.677.4000107.5
151V64.2Low72.2Confident78 Ų7886.1 Ų86.147%0.47345%0.454SS..EExtended strand (participates in β ladder)trans-112.6122.8172.1176.70000107.1R153 I154 I156V151-R153 VanDerWaalsContact C-N 3.31Å; V151-R153 PolarHBondContact O-N 3.32Å; V151-I154 PolarHBondContact N-O 2.96Å; V151-I154 PolarHBondContact O-N 2.91Å; V151-I156 HydrophobicContact CB-CD1 3.61Å; V151-I156 HydrophobicContact CB-CG1 4.08Å; V151-I156 HydrophobicContact CG1-CD1 4.41Å; V151-I156 HydrophobicContact CG2-CD1 3.5Å; V151-I156 VanDerWaalsContact CG2-CD1 3.5Å; V151-I156 HydrophobicContact CG2-CG1 4.15Å
152M65.2Low72.4Confident174 Ų17482.6 Ų82.686%0.85744%0.435SS*.THydrogen-bonded Turntrans46.650.4179.5-62.6-62.2-7400113.4I154M152-I154 PolarHBondContact O-N 3.44Å; M152-I154 VanDerWaalsContact O-N 3.08Å
153R66.2Low72.7Confident244 Ų24481.9 Ų81.992%0.92143%0.427SS*.THydrogen-bonded Turntrans65.5-3.7-178.4-58.8-179.8176.5172.6-1.1116.6V151V151-R153 VanDerWaalsContact C-N 3.31Å; V151-R153 PolarHBondContact O-N 3.32Å
154I68.2Low73.1Confident120 Ų12084.7 Ų84.762%0.61544%0.442SS*.EExtended strand (participates in β ladder)trans-90.6121.1171.6-55.2171.4000107.7V151 M152 I156V151-I154 PolarHBondContact N-O 2.96Å; V151-I154 PolarHBondContact O-N 2.91Å; M152-I154 PolarHBondContact O-N 3.44Å; M152-I154 VanDerWaalsContact O-N 3.08Å; I154-I156 PolarHBondContact O-N 3.26Å
155P64Low73.7Confident67 Ų6782 Ų8244%0.43542%0.42SS..EExtended strand (participates in β ladder)trans-67.1103.8172.827.5-32.1000108.8P147 A149 T157P147-P155 HydrophobicContact CB-CB 4.2Å; A149-P155 CarbonylContact O-C 3.55Å; A149-P155 WeakPolarHBondContact O-CA 3.43Å; P155-T157 PolarHBondContact O-N 2.87Å
156I63.7Low75Confident53 Ų5374.1 Ų74.127%0.27239%0.392SS..EExtended strand (participates in β ladder)trans-72.699.1168-59.9-170.6000106.6A149 V151 I154 F161A149-I156 PolarHBondContact N-O 3.09Å; A149-I156 CarbonylContact O-C 3.48Å; A149-I156 PolarHBondContact O-N 3.16Å; V151-I156 HydrophobicContact CB-CD1 3.61Å; V151-I156 HydrophobicContact CB-CG1 4.08Å; V151-I156 HydrophobicContact CG1-CD1 4.41Å; V151-I156 HydrophobicContact CG2-CD1 3.5Å; V151-I156 VanDerWaalsContact CG2-CD1 3.5Å; V151-I156 HydrophobicContact CG2-CG1 4.15Å; I154-I156 PolarHBondContact O-N 3.26Å; I156-F161 HydrophobicContact CG2-CE2 3.8Å; I156-F161 HydrophobicContact CG2-CZ 4.01Å
157T68.9Low76.1Confident13 Ų1377 Ų778%0.0840%0.399CS..EExtended strand (participates in β ladder)trans-79.5148.5171.7-1770000109.8W145 V146 P155 K159 S160W145-T157 HydrophobicContact CE3-CG2 4.04Å; W145-T157 HydrophobicContact CZ3-CG2 3.95Å; V146-T157 PolarHBondContact O-OG1 3.31Å; P155-T157 PolarHBondContact O-N 2.87Å; T157-K159 HydrophobicContact CG2-CB 3.81Å; T157-K159 PolarHBondContact O-N 2.94Å; T157-S160 PolarHBondContact O-N 3.21Å; T157-S160 PolarHBondContact O-OG 3.24Å
158G72.6Confident77.6Confident31 Ų3177.4 Ų77.432%0.3239%0.393SS..THydrogen-bonded Turntrans-58.1-12.8172.600000113.9P162G158-P162 WeakPolarHBondContact O-CD 3.18Å
159K82.4Confident79.1Confident5 Ų571.9 Ų71.92%0.02236%0.36CS..THydrogen-bonded Turntrans-80-24.7174-68.5-173.2168.7-168.40115.3Y139 I143 P144 W145 T157 F161 P162 Y163Y139-K159 HydrophobicContact CE1-CB 4.2Å; Y139-K159 HydrophobicContact CE1-CD 4.49Å; Y139-K159 HydrophobicContact CE1-CG 3.98Å; Y139-K159 WeakPolarHBondContact OH-CA 3.37Å; I143-K159 WeakPolarHBondContact O-CE 3.44Å; I143-K159 PolarHBondContact O-NZ 3.3Å; P144-K159 VanDerWaalsContact O-CE 3.29Å; P144-K159 WeakPolarHBondContact O-CE 3.49Å; W145-K159 HydrophobicContact CD2-CD 4.09Å; W145-K159 HydrophobicContact CG-CD 4.18Å; T157-K159 HydrophobicContact CG2-CB 3.81Å; T157-K159 PolarHBondContact O-N 2.94Å; K159-F161 VanDerWaalsContact C-N 3.33Å; K159-F161 PolarHBondContact O-N 3.17Å; K159-P162 VanDerWaalsContact O-CD 3.24Å; K159-P162 WeakPolarHBondContact O-CD 3.27Å; K159-P162 VanDerWaalsContact O-CG 3.29Å; K159-P162 WeakPolarHBondContact O-CG 3.45Å; K159-Y163 HydrophobicContact CB-CD2 4.42Å; K159-Y163 HydrophobicContact CB-CE2 4.09Å; K159-Y163 WeakPolarHBondContact O-CD2 3.32Å
160S85.4Confident80.6Confident35 Ų3570.4 Ų70.425%0.24535%0.348CS..Hα-helixtrans-66.2-38.4-173.856.50000111.6T157 Y163 I164T157-S160 PolarHBondContact O-N 3.21Å; T157-S160 PolarHBondContact O-OG 3.24Å; S160-Y163 PolarHBondContact O-N 3.38Å; S160-I164 VanDerWaalsContact O-CG1 3.32Å; S160-I164 WeakPolarHBondContact O-CG1 3.32Å; S160-I164 PolarHBondContact O-N 3.18Å
161F88.2Confident82.1Confident83 Ų8368.9 Ų68.936%0.36434%0.342SS..Hα-helixtrans-54.9-56.5179.6-67.7-70.4000114.2Y79 I156 K159 Y163 I164 F165Y79-F161 HydrophobicContact CE1-CB 4.44Å; Y79-F161 HydrophobicContact CE2-CB 4.05Å; Y79-F161 WeakPolarHBondContact OH-CB 3.4Å; I156-F161 HydrophobicContact CG2-CE2 3.8Å; I156-F161 HydrophobicContact CG2-CZ 4.01Å; K159-F161 VanDerWaalsContact C-N 3.33Å; K159-F161 PolarHBondContact O-N 3.17Å; F161-Y163 VanDerWaalsContact C-N 3.26Å; F161-Y163 PolarHBondContact O-N 3.5Å; F161-I164 PolarHBondContact O-N 2.8Å; F161-I164 VanDerWaalsContact O-N 3.16Å; F161-F165 HydrophobicContact CB-CD2 4.46Å; F161-F165 HydrophobicContact CB-CE2 3.94Å; F161-F165 HydrophobicContact CD1-CE2 4.49Å; F161-F165 HydrophobicContact CD1-CZ 4.47Å; F161-F165 WeakPolarHBondContact O-CD2 3.31Å; F161-F165 WeakPolarHBondContact O-CG 3.43Å; F161-F165 PolarHBondContact O-N 3.07Å
162P91.4Very high83.4Confident0 Ų069 Ų690%034%0.343CS..Hα-helixtrans-61.4-32.9177.920.7-31.2000112.9L76 Y79 F136 Y139 G158 K159 G166L76-P162 HydrophobicContact CD2-CB 3.72Å; L76-P162 VanDerWaalsContact CD2-O 3.3Å; L76-P162 WeakPolarHBondContact CD2-O 3.4Å; Y79-P162 HydrophobicContact CD1-CG 4.45Å; Y79-P162 HydrophobicContact CD2-CB 4.39Å; Y79-P162 HydrophobicContact CG-CB 4.31Å; Y79-P162 HydrophobicContact CG-CG 4.3Å; F136-P162 WeakPolarHBondContact CE1-O 3.45Å; F136-P162 WeakPolarHBondContact CZ-O 3.43Å; Y139-P162 HydrophobicContact CE1-CG 3.8Å; Y139-P162 HydrophobicContact CE2-CG 4.45Å; Y139-P162 WeakPolarHBondContact OH-CG 3.45Å; G158-P162 WeakPolarHBondContact O-CD 3.18Å; K159-P162 VanDerWaalsContact O-CD 3.24Å; K159-P162 WeakPolarHBondContact O-CD 3.27Å; K159-P162 VanDerWaalsContact O-CG 3.29Å; K159-P162 WeakPolarHBondContact O-CG 3.45Å; P162-G166 PolarHBondContact O-N 3.41Å
163Y92.5Very high84.5Confident67 Ų6762.2 Ų62.226%0.26331%0.313SS..Hα-helixtrans-67.3-40.3174.6-69.9-61.8000112.8F136 Y139 F140 K159 S160 F161 G166 F167F136-Y163 AromaticContact CD1-CD1 3.95Å; F136-Y163 HydrophobicContact CD1-CD1 3.95Å; F136-Y163 AromaticContact CD1-CE1 3.86Å; F136-Y163 HydrophobicContact CD1-CE1 3.86Å; F136-Y163 AromaticContact CE1-CD1 3.92Å; F136-Y163 HydrophobicContact CE1-CD1 3.92Å; F136-Y163 HydrophobicContact CE1-CE1 4.27Å; Y139-Y163 HydrophobicContact CD1-CE2 4.3Å; Y139-Y163 AromaticContact CD1-CZ 3.9Å; Y139-Y163 HydrophobicContact CE1-CE2 4.05Å; F140-Y163 WeakPolarHBondContact CA-OH 3.4Å; F140-Y163 WeakPolarHBondContact CD2-OH 3.28Å; K159-Y163 HydrophobicContact CB-CD2 4.42Å; K159-Y163 HydrophobicContact CB-CE2 4.09Å; K159-Y163 WeakPolarHBondContact O-CD2 3.32Å; S160-Y163 PolarHBondContact O-N 3.38Å; F161-Y163 VanDerWaalsContact C-N 3.26Å; F161-Y163 PolarHBondContact O-N 3.5Å; Y163-G166 PolarHBondContact O-N 3.08Å; Y163-F167 WeakPolarHBondContact O-CB 3.29Å; Y163-F167 PolarHBondContact O-N 3.23Å
164I93Very high85.7Confident97 Ų9755.2 Ų55.250%0.49730%0.299SS..Hα-helixtrans-62.2-49176.4-67.9164.2000110.1S160 F161 G166 F167 E168S160-I164 VanDerWaalsContact O-CG1 3.32Å; S160-I164 WeakPolarHBondContact O-CG1 3.32Å; S160-I164 PolarHBondContact O-N 3.18Å; F161-I164 PolarHBondContact O-N 2.8Å; F161-I164 VanDerWaalsContact O-N 3.16Å; I164-G166 PolarHBondContact O-N 3.14Å; I164-F167 PolarHBondContact O-N 3.24Å; I164-E168 WeakPolarHBondContact O-CB 3.49Å; I164-E168 PolarHBondContact O-N 3.02Å
165F93.9Very high86.7Confident37 Ų3752.4 Ų52.416%0.16228%0.283CS..Hα-helixtrans-65.2-38.2178.9-59.6-46.3000112.7C72 L75 L76 Y79 F161 E168 I169C72-F165 HydrophobicContact CB-CB 4.31Å; L75-F165 HydrophobicContact CB-CD2 4.12Å; L75-F165 HydrophobicContact CB-CE2 4.16Å; L75-F165 HydrophobicContact CD1-CD2 4.34Å; L75-F165 HydrophobicContact CD1-CE1 4.02Å; L75-F165 HydrophobicContact CD1-CE2 3.83Å; L75-F165 HydrophobicContact CD1-CZ 3.65Å; L76-F165 HydrophobicContact CD1-CB 4.31Å; L76-F165 HydrophobicContact CD2-CB 4.22Å; L76-F165 HydrophobicContact CG-CB 4.04Å; Y79-F165 HydrophobicContact CE2-CD2 4.37Å; Y79-F165 HydrophobicContact CE2-CE2 4.02Å; F161-F165 HydrophobicContact CB-CD2 4.46Å; F161-F165 HydrophobicContact CB-CE2 3.94Å; F161-F165 HydrophobicContact CD1-CE2 4.49Å; F161-F165 HydrophobicContact CD1-CZ 4.47Å; F161-F165 WeakPolarHBondContact O-CD2 3.31Å; F161-F165 WeakPolarHBondContact O-CG 3.43Å; F161-F165 PolarHBondContact O-N 3.07Å; F165-E168 PolarHBondContact O-N 3.46Å; F165-I169 WeakPolarHBondContact O-CG1 3.37Å; F165-I169 PolarHBondContact O-N 3.48Å; F165-I169 VanDerWaalsContact O-N 3.16Å
166G94.7Very high88Confident4 Ų449.4 Ų49.44%0.04126%0.264CS..Hα-helixtrans-65.2-40.8174.800000112.4P162 Y163 I164 A170P162-G166 PolarHBondContact O-N 3.41Å; Y163-G166 PolarHBondContact O-N 3.08Å; I164-G166 PolarHBondContact O-N 3.14Å; G166-A170 WeakPolarHBondContact O-CB 3.48Å; G166-A170 PolarHBondContact O-N 2.85Å
167F94.6Very high89.4Confident133 Ų13350 Ų5058%0.58327%0.267SS*.Hα-helixtrans-65.7-42176.5-177.4-98.9000111.9Y163 I164 I169 A170 M171Y163-F167 WeakPolarHBondContact O-CB 3.29Å; Y163-F167 PolarHBondContact O-N 3.23Å; I164-F167 PolarHBondContact O-N 3.24Å; F167-I169 PolarHBondContact O-N 3.3Å; F167-A170 PolarHBondContact O-N 3.05Å; F167-M171 HydrophobicContact CD1-CG 4.18Å; F167-M171 HydrophobicContact CD2-CG 4.23Å; F167-M171 HydrophobicContact CE1-CG 3.77Å; F167-M171 HydrophobicContact CE2-CE 4Å; F167-M171 HydrophobicContact CE2-CG 3.82Å; F167-M171 HydrophobicContact CE2-SD 4.33Å; F167-M171 HydrophobicContact CG-CG 4.4Å; F167-M171 HydrophobicContact CZ-CG 3.57Å; F167-M171 HydrophobicContact CZ-SD 4.25Å; F167-M171 WeakPolarHBondContact O-CB 3.48Å; F167-M171 WeakPolarHBondContact O-CG 3.21Å; F167-M171 PolarHBondContact O-N 3.31Å
168E93.8Very high90.5Very high86 Ų8650.5 Ų50.540%0.40227%0.268SS..Hα-helixtrans-58-48.2176-177179173.700111.7C72 I164 F165 A170 M171 T172C72-E168 PolarHBondContact SG-OE2 3.23Å; I164-E168 WeakPolarHBondContact O-CB 3.49Å; I164-E168 PolarHBondContact O-N 3.02Å; F165-E168 PolarHBondContact O-N 3.46Å; E168-A170 VanDerWaalsContact C-N 3.34Å; E168-A170 PolarHBondContact O-N 3.17Å; E168-M171 PolarHBondContact O-N 2.99Å; E168-T172 PolarHBondContact O-N 2.97Å; E168-T172 PolarHBondContact O-OG1 3.28Å
169I93.5Very high91.4Very high1 Ų149.2 Ų49.21%0.00526%0.255CS..Hα-helixtrans-62.5-43.5176.8-68.6164.7000110.7C72 L76 F129 F133 F165 F167 M171 T172 S176C72-I169 HydrophobicContact CB-CD1 3.65Å; C72-I169 HydrophobicContact CB-CG1 3.81Å; L76-I169 HydrophobicContact CD1-CD1 3.6Å; F129-I169 HydrophobicContact CD1-CG2 3.85Å; F129-I169 HydrophobicContact CE1-CG2 3.51Å; F129-I169 HydrophobicContact CZ-CG2 4.35Å; F133-I169 HydrophobicContact CE2-CG2 3.75Å; F133-I169 HydrophobicContact CZ-CB 4.05Å; F133-I169 HydrophobicContact CZ-CG2 3.68Å; F165-I169 WeakPolarHBondContact O-CG1 3.37Å; F165-I169 PolarHBondContact O-N 3.48Å; F165-I169 VanDerWaalsContact O-N 3.16Å; F167-I169 PolarHBondContact O-N 3.3Å; I169-M171 VanDerWaalsContact C-N 3.3Å; I169-M171 PolarHBondContact O-N 2.95Å; I169-T172 WeakPolarHBondContact O-CB 3.44Å; I169-T172 PolarHBondContact O-N 2.88Å; I169-T172 PolarHBondContact O-OG1 3.22Å; I169-S176 WeakPolarHBondContact O-CB 3.44Å
170A93.7Very high91.9Very high14 Ų1449.2 Ų49.212%0.11626%0.255CS..Hα-helixtrans-64.1-34.5-179.700000112.9G166 F167 E168 L177 C180G166-A170 WeakPolarHBondContact O-CB 3.48Å; G166-A170 PolarHBondContact O-N 2.85Å; F167-A170 PolarHBondContact O-N 3.05Å; E168-A170 VanDerWaalsContact C-N 3.34Å; E168-A170 PolarHBondContact O-N 3.17Å; A170-L177 WeakPolarHBondContact O-CB 3.45Å; A170-L177 PolarHBondContact O-N 2.87Å; A170-C180 HydrophobicContact CB-CB 4.22Å
171M93.4Very high92.4Very high104 Ų10451.5 Ų51.551%0.51226%0.264SS..THydrogen-bonded Turntrans-89.62.8-178.7-66.2-63.2130.400114.1F167 E168 I169 L177F167-M171 HydrophobicContact CD1-CG 4.18Å; F167-M171 HydrophobicContact CD2-CG 4.23Å; F167-M171 HydrophobicContact CE1-CG 3.77Å; F167-M171 HydrophobicContact CE2-CE 4Å; F167-M171 HydrophobicContact CE2-CG 3.82Å; F167-M171 HydrophobicContact CE2-SD 4.33Å; F167-M171 HydrophobicContact CG-CG 4.4Å; F167-M171 HydrophobicContact CZ-CG 3.57Å; F167-M171 HydrophobicContact CZ-SD 4.25Å; F167-M171 WeakPolarHBondContact O-CB 3.48Å; F167-M171 WeakPolarHBondContact O-CG 3.21Å; F167-M171 PolarHBondContact O-N 3.31Å; E168-M171 PolarHBondContact O-N 2.99Å; I169-M171 VanDerWaalsContact C-N 3.3Å; I169-M171 PolarHBondContact O-N 2.95Å; M171-L177 HydrophobicContact CE-CD1 3.69Å
172T91.3Very high92.7Very high80 Ų8047.7 Ų47.749%0.49125%0.247SC..SBendtrans-67.4-40.8-179.2-67.20000112.1E168 I169E168-T172 PolarHBondContact O-N 2.97Å; E168-T172 PolarHBondContact O-OG1 3.28Å; I169-T172 WeakPolarHBondContact O-CB 3.44Å; I169-T172 PolarHBondContact O-N 2.88Å; I169-T172 PolarHBondContact O-OG1 3.22Å
173S89.8Confident92.8Very high33 Ų3347.7 Ų47.723%0.23125%0.247CC..  trans-155.9157.4177.887.90000110.5E175 S176 L177S173-E175 WeakPolarHBondContact CB-OE2 3.27Å; S173-E175 PolarHBondContact O-N 3.11Å; S173-E175 PolarHBondContact OG-N 3.5Å; S173-E175 PolarHBondContact OG-OE2 3.05Å; S173-S176 WeakPolarHBondContact O-CB 3.1Å; S173-S176 PolarHBondContact O-N 3.12Å; S173-S176 PolarHBondContact OG-N 3.47Å; S173-S176 VanDerWaalsContact OG-N 3.13Å; S173-S176 PolarHBondContact OG-OG 3.43Å; S173-L177 PolarHBondContact O-N 3.3Å
174P90Very high93Very high96 Ų9647.8 Ų47.862%0.62325%0.252SS*.Hα-helixtrans-62.9-28.3178.125.5-33.1000112.5L177 F178P174-L177 WeakPolarHBondContact O-CB 3.46Å; P174-L177 PolarHBondContact O-N 3.44Å; P174-F178 PolarHBondContact O-N 3.42Å
175E89.4Confident93.1Very high61 Ų6146.9 Ų46.929%0.28525%0.247SC..Hα-helixtrans-72.1-38.8175.7-48.883.2-175.800111.3L121 I123 L124 S173 F178 V179L121-E175 HydrophobicContact CD2-CG 4.09Å; I123-E175 WeakPolarHBondContact O-CG 3.21Å; L124-E175 HydrophobicContact CD2-CB 4.15Å; S173-E175 WeakPolarHBondContact CB-OE2 3.27Å; S173-E175 PolarHBondContact O-N 3.11Å; S173-E175 PolarHBondContact OG-N 3.5Å; S173-E175 PolarHBondContact OG-OE2 3.05Å; E175-F178 WeakPolarHBondContact O-CB 3.42Å; E175-F178 PolarHBondContact O-N 2.96Å; E175-V179 WeakPolarHBondContact O-CG2 3.23Å; E175-V179 PolarHBondContact O-N 3.39Å
176S91.2Very high93Very high5 Ų545.1 Ų45.14%0.03524%0.239CC..Hα-helixtrans-60-47.1169.6-640000111.5P125 I169 S173 F178 V179 C180P125-S176 WeakPolarHBondContact CG-OG 3.47Å; I169-S176 WeakPolarHBondContact O-CB 3.44Å; S173-S176 WeakPolarHBondContact O-CB 3.1Å; S173-S176 PolarHBondContact O-N 3.12Å; S173-S176 PolarHBondContact OG-N 3.47Å; S173-S176 VanDerWaalsContact OG-N 3.13Å; S173-S176 PolarHBondContact OG-OG 3.43Å; S176-F178 VanDerWaalsContact C-N 3.26Å; S176-F178 PolarHBondContact O-N 2.74Å; S176-V179 PolarHBondContact O-N 3.39Å; S176-C180 WeakPolarHBondContact O-CB 3.21Å; S176-C180 PolarHBondContact O-N 3.41Å; S176-C180 PolarHBondContact O-SG 2.93Å
177L92.8Very high93Very high64 Ų6444.9 Ų44.934%0.33524%0.238SC..Hα-helixtrans-55.8-43.5175.7-172.5150.7000111.6A170 M171 S173 P174 C180 I181A170-L177 WeakPolarHBondContact O-CB 3.45Å; A170-L177 PolarHBondContact O-N 2.87Å; M171-L177 HydrophobicContact CE-CD1 3.69Å; S173-L177 PolarHBondContact O-N 3.3Å; P174-L177 WeakPolarHBondContact O-CB 3.46Å; P174-L177 PolarHBondContact O-N 3.44Å; L177-C180 WeakPolarHBondContact O-CB 3.42Å; L177-C180 PolarHBondContact O-N 2.96Å; L177-I181 HydrophobicContact CD2-CD1 3.42Å; L177-I181 VanDerWaalsContact CD2-CD1 3.42Å; L177-I181 HydrophobicContact CD2-CG1 4.18Å; L177-I181 HydrophobicContact CG-CD1 4.45Å; L177-I181 WeakPolarHBondContact O-CG1 3.37Å; L177-I181 PolarHBondContact O-N 3.31Å
178F92.1Very high92.9Very high24 Ų2443.3 Ų43.311%0.10523%0.23CC..Hα-helixtrans-59.4-49.3176.6172-97.5000112.7M110 L114 L121 L124 P174 E175 S176 C180 I181 C182M110-F178 HydrophobicContact CB-CE2 3.72Å; M110-F178 HydrophobicContact CB-CZ 3.47Å; M110-F178 VanDerWaalsContact CB-CZ 3.47Å; L114-F178 HydrophobicContact CD1-CD2 3.95Å; L114-F178 HydrophobicContact CD1-CE2 3.42Å; L114-F178 VanDerWaalsContact CD1-CE2 3.42Å; L114-F178 HydrophobicContact CD1-CZ 4.01Å; L121-F178 HydrophobicContact CD1-CD1 4.25Å; L121-F178 HydrophobicContact CD1-CD2 4.3Å; L121-F178 HydrophobicContact CD1-CE1 4.44Å; L121-F178 HydrophobicContact CD1-CE2 4.49Å; L121-F178 HydrophobicContact CD1-CG 4.17Å; L124-F178 HydrophobicContact CD1-CE1 4.48Å; L124-F178 HydrophobicContact CD2-CD1 4.14Å; P174-F178 PolarHBondContact O-N 3.42Å; E175-F178 WeakPolarHBondContact O-CB 3.42Å; E175-F178 PolarHBondContact O-N 2.96Å; S176-F178 VanDerWaalsContact C-N 3.26Å; S176-F178 PolarHBondContact O-N 2.74Å; F178-C180 VanDerWaalsContact C-N 3.29Å; F178-C180 PolarHBondContact O-N 3.1Å; F178-I181 PolarHBondContact O-N 3.39Å; F178-C182 PolarHBondContact O-N 3.17Å; F178-C182 PolarHBondContact O-SG 2.96Å
179V92Very high92.7Very high5 Ų541.2 Ų41.23%0.0322%0.224CC..Hα-helixtrans-61.5-39.6176.7172.60000111L124 P125 F129 E175 S176 C182 G183L124-V179 HydrophobicContact CB-CG2 4.27Å; L124-V179 HydrophobicContact CD1-CG2 4.01Å; L124-V179 HydrophobicContact CD2-CG2 4.33Å; L124-V179 HydrophobicContact CG-CG2 4.45Å; P125-V179 HydrophobicContact CG-CB 4.48Å; P125-V179 HydrophobicContact CG-CG2 4.1Å; F129-V179 HydrophobicContact CB-CG1 3.7Å; E175-V179 WeakPolarHBondContact O-CG2 3.23Å; E175-V179 PolarHBondContact O-N 3.39Å; S176-V179 PolarHBondContact O-N 3.39Å; V179-C182 PolarHBondContact O-N 2.92Å; V179-G183 PolarHBondContact O-N 2.86Å
180C94.1Very high92.5Very high5 Ų541.8 Ų41.83%0.03423%0.226CC..Hα-helixtrans-60.7-46.6176.5-63.70000111.7F133 A170 S176 L177 F178 G183 L184F133-C180 HydrophobicContact CD1-CB 3.83Å; F133-C180 HydrophobicContact CD2-CB 4.38Å; F133-C180 HydrophobicContact CE1-CB 3.82Å; F133-C180 WeakPolarHBondContact CE1-SG 3.36Å; F133-C180 HydrophobicContact CE2-CB 4.36Å; F133-C180 WeakPolarHBondContact CE2-SG 3.34Å; F133-C180 HydrophobicContact CG-CB 4.13Å; F133-C180 HydrophobicContact CZ-CB 4.12Å; F133-C180 WeakPolarHBondContact CZ-SG 3.35Å; A170-C180 HydrophobicContact CB-CB 4.22Å; S176-C180 WeakPolarHBondContact O-CB 3.21Å; S176-C180 PolarHBondContact O-N 3.41Å; S176-C180 PolarHBondContact O-SG 2.93Å; L177-C180 WeakPolarHBondContact O-CB 3.42Å; L177-C180 PolarHBondContact O-N 2.96Å; F178-C180 VanDerWaalsContact C-N 3.29Å; F178-C180 PolarHBondContact O-N 3.1Å; C180-G183 PolarHBondContact O-N 3.04Å; C180-L184 WeakPolarHBondContact O-CG 3.2Å; C180-L184 PolarHBondContact O-N 3.43Å
181I94.9Very high92.2Very high83 Ų8346.8 Ų46.843%0.42624%0.242SC..Hα-helixtrans-61.9-45.3177.5-70.1176.7000110.6L177 F178 G183 L184 I185L177-I181 HydrophobicContact CD2-CD1 3.42Å; L177-I181 VanDerWaalsContact CD2-CD1 3.42Å; L177-I181 HydrophobicContact CD2-CG1 4.18Å; L177-I181 HydrophobicContact CG-CD1 4.45Å; L177-I181 WeakPolarHBondContact O-CG1 3.37Å; L177-I181 PolarHBondContact O-N 3.31Å; F178-I181 PolarHBondContact O-N 3.39Å; I181-G183 VanDerWaalsContact C-N 3.29Å; I181-G183 PolarHBondContact O-N 2.81Å; I181-L184 PolarHBondContact O-N 2.86Å; I181-I185 HydrophobicContact CG2-CD1 3.77Å; I181-I185 HydrophobicContact CG2-CG1 4.36Å; I181-I185 VanDerWaalsContact O-CG1 3.31Å; I181-I185 WeakPolarHBondContact O-CG1 3.33Å; I181-I185 PolarHBondContact O-N 3.24Å
182C94.1Very high91.8Very high2 Ų248.4 Ų48.41%0.01425%0.247CC..Hα-helixtrans-59.1-41.9176.8-65.80000111.8V106 E107 F178 V179 T186V106-C182 HydrophobicContact CG1-CB 3.93Å; E107-C182 HydrophobicContact CG-CB 3.94Å; F178-C182 PolarHBondContact O-N 3.17Å; F178-C182 PolarHBondContact O-SG 2.96Å; V179-C182 PolarHBondContact O-N 2.92Å; C182-T186 PolarHBondContact O-N 3.42Å; C182-T186 PolarHBondContact O-OG1 3.43Å
183G94.8Very high91.2Very high0 Ų047 Ų470%024%0.236CC..Hα-helixtrans-63.1-44.3174.100000113P134 V179 C180 I181 T186 G187P134-G183 VanDerWaalsContact CA-O 3.3Å; P134-G183 WeakPolarHBondContact CA-O 3.46Å; P134-G183 VanDerWaalsContact CG-O 3.31Å; P134-G183 WeakPolarHBondContact CG-O 3.24Å; V179-G183 PolarHBondContact O-N 2.86Å; C180-G183 PolarHBondContact O-N 3.04Å; I181-G183 VanDerWaalsContact C-N 3.29Å; I181-G183 PolarHBondContact O-N 2.81Å; G183-T186 WeakPolarHBondContact O-CB 3.48Å; G183-T186 PolarHBondContact O-N 2.93Å; G183-G187 PolarHBondContact O-N 3.46Å
184L95.6Very high89.9Confident70 Ų7053.3 Ų53.337%0.36626%0.26SS..Hα-helixtrans-64.4-42.5177.8-71.5174.1000112.3F136 V137 C180 I181 T186 G187 F188F136-L184 HydrophobicContact CB-CD2 3.82Å; V137-L184 HydrophobicContact CG2-CD2 4.12Å; V137-L184 WeakPolarHBondContact CG2-O 3.39Å; C180-L184 WeakPolarHBondContact O-CG 3.2Å; C180-L184 PolarHBondContact O-N 3.43Å; I181-L184 PolarHBondContact O-N 2.86Å; L184-T186 VanDerWaalsContact C-N 3.26Å; L184-T186 PolarHBondContact O-N 3.38Å; L184-G187 PolarHBondContact O-N 3.48Å; L184-F188 PolarHBondContact O-N 3.16Å
185I94.5Very high88.4Confident77 Ų7754.2 Ų54.240%0.39526%0.259SS..Hα-helixtrans-58.3-42.9174.1-68.5166.9000110.2I181 F188 T189I181-I185 HydrophobicContact CG2-CD1 3.77Å; I181-I185 HydrophobicContact CG2-CG1 4.36Å; I181-I185 VanDerWaalsContact O-CG1 3.31Å; I181-I185 WeakPolarHBondContact O-CG1 3.33Å; I181-I185 PolarHBondContact O-N 3.24Å; I185-F188 PolarHBondContact O-N 3.33Å; I185-T189 WeakPolarHBondContact O-CB 3.31Å; I185-T189 PolarHBondContact O-N 2.86Å; I185-T189 PolarHBondContact O-OG1 3.33Å
186T93.5Very high87.3Confident0 Ų056 Ų560%027%0.27CS..Hα-helixtrans-62.9-43.9176.3-62.50000111.9Y98 T102 T103 P134 C182 G183 L184 F188 T189 Y190Y98-T186 HydrophobicContact CE1-CG2 4.4Å; T102-T186 HydrophobicContact CG2-CG2 3.7Å; T103-T186 WeakPolarHBondContact CA-OG1 3.22Å; T103-T186 WeakPolarHBondContact OG1-CB 3.3Å; T103-T186 WeakPolarHBondContact OG1-CG2 3.42Å; T103-T186 PolarHBondContact OG1-OG1 2.88Å; P134-T186 HydrophobicContact CG-CG2 4.35Å; C182-T186 PolarHBondContact O-N 3.42Å; C182-T186 PolarHBondContact O-OG1 3.43Å; G183-T186 WeakPolarHBondContact O-CB 3.48Å; G183-T186 PolarHBondContact O-N 2.93Å; L184-T186 VanDerWaalsContact C-N 3.26Å; L184-T186 PolarHBondContact O-N 3.38Å; T186-F188 VanDerWaalsContact C-N 3.32Å; T186-F188 PolarHBondContact O-N 3.49Å; T186-T189 PolarHBondContact O-N 3.2Å; T186-Y190 PolarHBondContact O-N 3.49Å
187G93.3Very high86Confident0 Ų056.1 Ų56.10%027%0.271CS..Hα-helixtrans-59.8-41.3175.300000112.5P134 G183 L184 Y190 Y191P134-G187 WeakPolarHBondContact O-CA 3.45Å; G183-G187 PolarHBondContact O-N 3.46Å; L184-G187 PolarHBondContact O-N 3.48Å; G187-Y190 WeakPolarHBondContact O-CB 3.08Å; G187-Y190 PolarHBondContact O-N 2.85Å; G187-Y191 PolarHBondContact O-N 3.4Å
188F92.5Very high84.8Confident99 Ų9956.5 Ų56.543%0.43427%0.271SS..Hα-helixtrans-67.9-38.9175.9-170.9-109.8000112.7V137 L184 I185 T186 Y190 Y191 K192V137-F188 HydrophobicContact CG1-CB 4.49Å; L184-F188 PolarHBondContact O-N 3.16Å; I185-F188 PolarHBondContact O-N 3.33Å; T186-F188 VanDerWaalsContact C-N 3.32Å; T186-F188 PolarHBondContact O-N 3.49Å; F188-Y190 VanDerWaalsContact C-N 3.31Å; F188-Y190 PolarHBondContact O-N 2.9Å; F188-Y191 PolarHBondContact O-N 3.27Å; F188-K192 HydrophobicContact CD1-CD 4.16Å; F188-K192 HydrophobicContact CE1-CD 3.67Å; F188-K192 HydrophobicContact CE1-CG 4.28Å; F188-K192 HydrophobicContact CZ-CD 4.11Å; F188-K192 HydrophobicContact CZ-CG 4.41Å; F188-K192 PolarHBondContact O-N 3.23Å
189T91.1Very high83.5Confident42 Ų4259.3 Ų59.326%0.25829%0.293SS..Hα-helixtrans-63.8-37.9175.4-54.90000111.4I185 T186 N193 F194I185-T189 WeakPolarHBondContact O-CB 3.31Å; I185-T189 PolarHBondContact O-N 2.86Å; I185-T189 PolarHBondContact O-OG1 3.33Å; T186-T189 PolarHBondContact O-N 3.2Å; T189-N193 PolarHBondContact O-N 3.11Å; T189-F194 HydrophobicContact CG2-CB 4.16Å
190Y88.8Confident82.3Confident13 Ų1369.6 Ų69.65%0.05133%0.332CS..Hα-helixtrans-64.5-44.2171.8-177.4-99.1000112.4F95 Y98 T186 G187 F188 N193 Q198F95-Y190 AromaticContact CD2-CD1 3.78Å; F95-Y190 HydrophobicContact CD2-CD1 3.78Å; F95-Y190 AromaticContact CD2-CD2 3.85Å; F95-Y190 HydrophobicContact CD2-CD2 3.85Å; F95-Y190 AromaticContact CD2-CE1 3.45Å; F95-Y190 HydrophobicContact CD2-CE1 3.45Å; F95-Y190 VanDerWaalsContact CD2-CE1 3.45Å; F95-Y190 AromaticContact CD2-CE2 3.56Å; F95-Y190 HydrophobicContact CD2-CE2 3.56Å; F95-Y190 AromaticContact CD2-CG 3.95Å; F95-Y190 HydrophobicContact CD2-CG 3.95Å; F95-Y190 AromaticContact CD2-CZ 3.32Å; F95-Y190 AromaticContact CE2-CD1 3.38Å; F95-Y190 HydrophobicContact CE2-CD1 3.38Å; F95-Y190 AromaticContact CE2-CD2 3.98Å; F95-Y190 HydrophobicContact CE2-CD2 3.98Å; F95-Y190 AromaticContact CE2-CE1 3.5Å; F95-Y190 HydrophobicContact CE2-CE1 3.5Å; F95-Y190 HydrophobicContact CE2-CE2 4.11Å; F95-Y190 AromaticContact CE2-CG 3.61Å; F95-Y190 HydrophobicContact CE2-CG 3.61Å; F95-Y190 AromaticContact CE2-CZ 3.87Å; Y98-Y190 AromaticContact CD1-CD2 3.58Å; Y98-Y190 HydrophobicContact CD1-CD2 3.58Å; Y98-Y190 HydrophobicContact CD1-CE2 4.38Å; Y98-Y190 HydrophobicContact CD1-CG 4.32Å; Y98-Y190 AromaticContact CE1-CD2 3.66Å; Y98-Y190 HydrophobicContact CE1-CD2 3.66Å; Y98-Y190 HydrophobicContact CE1-CG 4.16Å; Y98-Y190 HydrophobicContact CG-CD2 4.3Å; T186-Y190 PolarHBondContact O-N 3.49Å; G187-Y190 WeakPolarHBondContact O-CB 3.08Å; G187-Y190 PolarHBondContact O-N 2.85Å; F188-Y190 VanDerWaalsContact C-N 3.31Å; F188-Y190 PolarHBondContact O-N 2.9Å; Y190-N193 WeakPolarHBondContact O-CA 3.34Å; Y190-N193 PolarHBondContact O-N 3.33Å; Y190-Q198 HydrophobicContact CE1-CG 4.46Å; Y190-Q198 HydrophobicContact CE2-CG 3.93Å
191Y86.5Confident81.1Confident119 Ų11972.6 Ų72.647%0.46735%0.347SS..Hα-helixtrans-62.4-43.9179.7179.5-100000112.1L141 G187 F188 N193L141-Y191 HydrophobicContact CB-CE2 4.29Å; L141-Y191 HydrophobicContact CD1-CD1 3.74Å; L141-Y191 HydrophobicContact CD1-CD2 3.48Å; L141-Y191 VanDerWaalsContact CD1-CD2 3.48Å; L141-Y191 HydrophobicContact CD1-CE1 3.76Å; L141-Y191 HydrophobicContact CD1-CE2 3.49Å; L141-Y191 VanDerWaalsContact CD1-CE2 3.49Å; L141-Y191 HydrophobicContact CD1-CG 3.61Å; L141-Y191 HydrophobicContact CG-CE2 4.47Å; G187-Y191 PolarHBondContact O-N 3.4Å; F188-Y191 PolarHBondContact O-N 3.27Å; Y191-N193 PolarHBondContact O-N 2.93Å; Y191-N193 VanDerWaalsContact O-N 3.09Å
192K85.1Confident80.2Confident139 Ų13972.1 Ų72.160%0.60435%0.345SS*.THydrogen-bonded Turntrans-64.2-9.9173.2-78.5-171.8165-179.60113.8F188 F194F188-K192 HydrophobicContact CD1-CD 4.16Å; F188-K192 HydrophobicContact CE1-CD 3.67Å; F188-K192 HydrophobicContact CE1-CG 4.28Å; F188-K192 HydrophobicContact CZ-CD 4.11Å; F188-K192 HydrophobicContact CZ-CG 4.41Å; F188-K192 PolarHBondContact O-N 3.23Å; K192-F194 PolarHBondContact O-N 3.43Å
193N79.8Confident79.2Confident51 Ų5174.1 Ų74.127%0.27335%0.354SS..THydrogen-bonded Turntrans52.938.8180-162.428.3000113.1T189 Y190 Y191 L195 N196 V197T189-N193 PolarHBondContact O-N 3.11Å; Y190-N193 WeakPolarHBondContact O-CA 3.34Å; Y190-N193 PolarHBondContact O-N 3.33Å; Y191-N193 PolarHBondContact O-N 2.93Å; Y191-N193 VanDerWaalsContact O-N 3.09Å; N193-L195 PolarHBondContact O-N 3.36Å; N193-N196 PolarHBondContact ND2-OD1 2.93Å; N193-N196 PolarHBondContact O-N 3.37Å; N193-N196 WeakPolarHBondContact OD1-CA 3.46Å; N193-V197 PolarHBondContact OD1-N 3.22Å
194F61.6Low78.3Confident164 Ų16477.6 Ų77.672%0.71938%0.376SS*.THydrogen-bonded Turntrans-52.4-27.4-170.2-171.1-104.6000114.3T189 K192T189-F194 HydrophobicContact CG2-CB 4.16Å; K192-F194 PolarHBondContact O-N 3.43Å
195L59.3Low77.3Confident115 Ų11581 Ų8160%0.60239%0.388SS*.THydrogen-bonded Turntrans-119.418.7-178.6-68.3168.6000114.2N193 V197N193-L195 PolarHBondContact O-N 3.36Å; L195-V197 HydrophobicContact CB-CG2 3.49Å; L195-V197 VanDerWaalsContact CB-CG2 3.49Å; L195-V197 PolarHBondContact O-N 2.94Å
196N65.5Low76.3Confident98 Ų9887.3 Ų87.352%0.52441%0.407SS..  trans47.532.6-171.4-152.78.1000113.1N193 Q198 S199 R200N193-N196 PolarHBondContact ND2-OD1 2.93Å; N193-N196 PolarHBondContact O-N 3.37Å; N193-N196 WeakPolarHBondContact OD1-CA 3.46Å; N196-Q198 PolarHBondContact O-N 3.15Å; N196-S199 PolarHBondContact O-N 3.04Å; N196-S199 VanDerWaalsContact O-N 3.08Å; N196-R200 PolarHBondContact O-N 2.95Å
197V63.6Low75.5Confident8 Ų890.7 Ų90.75%0.04843%0.427CS..Hα-helixtrans-58-36.5-169.6179.80000110.8Y98 N193 L195 S199 R200 L201Y98-V197 HydrophobicContact CD2-CB 4.3Å; Y98-V197 HydrophobicContact CD2-CG1 3.31Å; Y98-V197 HydrophobicContact CD2-CG2 4.1Å; Y98-V197 HydrophobicContact CE2-CB 4.19Å; Y98-V197 HydrophobicContact CE2-CG1 3.68Å; Y98-V197 HydrophobicContact CE2-CG2 3.56Å; Y98-V197 HydrophobicContact CG-CG1 3.8Å; N193-V197 PolarHBondContact OD1-N 3.22Å; L195-V197 HydrophobicContact CB-CG2 3.49Å; L195-V197 VanDerWaalsContact CB-CG2 3.49Å; L195-V197 PolarHBondContact O-N 2.94Å; V197-S199 PolarHBondContact O-N 3.06Å; V197-S199 VanDerWaalsContact O-N 3.11Å; V197-R200 PolarHBondContact O-N 2.96Å; V197-R200 VanDerWaalsContact O-N 3.08Å; V197-L201 HydrophobicContact CG1-CB 3.83Å; V197-L201 HydrophobicContact CG1-CD1 3.66Å; V197-L201 HydrophobicContact CG1-CG 4.4Å; V197-L201 PolarHBondContact O-N 2.73Å
198Q68.6Low74.7Confident72 Ų7292.5 Ų92.534%0.33644%0.437SS..Hα-helixtrans-57.7-30-177.5-59-167.1-0.200112.3Y190 N196Y190-Q198 HydrophobicContact CE1-CG 4.46Å; Y190-Q198 HydrophobicContact CE2-CG 3.93Å; N196-Q198 PolarHBondContact O-N 3.15Å
199S63.9Low74Confident83 Ų8393 Ų9358%0.5844%0.441SS*.Hα-helixtrans-94.2-28.8176.2-173.20000113.4N196 V197 L202N196-S199 PolarHBondContact O-N 3.04Å; N196-S199 VanDerWaalsContact O-N 3.08Å; V197-S199 PolarHBondContact O-N 3.06Å; V197-S199 VanDerWaalsContact O-N 3.11Å; S199-L202 WeakPolarHBondContact O-CD1 3.27Å
200R66.9Low73.3Confident222 Ų22298 Ų9884%0.83846%0.459SS*.Hα-helixtrans-89-34.1-172.2-166.4175.9179.3171.90113.7N196 V197 L202N196-R200 PolarHBondContact O-N 2.95Å; V197-R200 PolarHBondContact O-N 2.96Å; V197-R200 VanDerWaalsContact O-N 3.08Å; R200-L202 PolarHBondContact O-N 3.11Å
201L70Confident72.5Confident67 Ų6798.4 Ų98.435%0.35147%0.467SS..  trans-100.333.1-167.6-115.1153.7000113S94 F97 Y98 V197 F203S94-L201 WeakPolarHBondContact CB-O 3.38Å; S94-L201 PolarHBondContact OG-O 3.25Å; F97-L201 HydrophobicContact CD1-CD2 3.99Å; F97-L201 HydrophobicContact CE1-CD2 4.35Å; Y98-L201 HydrophobicContact CD2-CD1 4.17Å; V197-L201 HydrophobicContact CG1-CB 3.83Å; V197-L201 HydrophobicContact CG1-CD1 3.66Å; V197-L201 HydrophobicContact CG1-CG 4.4Å; V197-L201 PolarHBondContact O-N 2.73Å; L201-F203 PolarHBondContact O-N 2.81Å
202L74.2Confident71.9Confident74 Ų7495.8 Ų95.839%0.38747%0.466SS..  trans-75.1115.5176.7-76.1147.6000110.4S199 R200S199-L202 WeakPolarHBondContact O-CD1 3.27Å; R200-L202 PolarHBondContact O-N 3.11Å
203F73.3Confident71.3Confident44 Ų4496.8 Ų96.819%0.19347%0.47CS..  trans-49.7138.5174.7-98.7-101.8000111.5R90 L93 S94 F97 L201 K205 V207 I208R90-F203 VanDerWaalsContact CZ-O 3.24Å; R90-F203 PolarHBondContact NE-O 2.94Å; R90-F203 PolarHBondContact NH2-O 2.87Å; L93-F203 HydrophobicContact CD2-CD1 4.13Å; L93-F203 HydrophobicContact CD2-CE1 4.36Å; L93-F203 HydrophobicContact CD2-CG 4.2Å; L93-F203 HydrophobicContact CG-CD2 4.4Å; L93-F203 HydrophobicContact CG-CE2 4.39Å; S94-F203 PolarHBondContact OG-N 3.4Å; F97-F203 HydrophobicContact CB-CE2 3.58Å; F97-F203 HydrophobicContact CB-CZ 4.04Å; F97-F203 HydrophobicContact CD1-CE2 4.33Å; F97-F203 HydrophobicContact CD2-CE2 4.42Å; F97-F203 HydrophobicContact CD2-CZ 4.09Å; F97-F203 AromaticContact CG-CE2 3.86Å; F97-F203 HydrophobicContact CG-CE2 3.86Å; F97-F203 AromaticContact CG-CZ 3.99Å; F97-F203 HydrophobicContact CG-CZ 3.99Å; L201-F203 PolarHBondContact O-N 2.81Å; F203-K205 PolarHBondContact O-N 2.61Å; F203-V207 HydrophobicContact CD1-CB 4.36Å; F203-V207 HydrophobicContact CD1-CG1 4.01Å; F203-V207 HydrophobicContact CE1-CG1 4.36Å; F203-I208 HydrophobicContact CB-CD1 4.03Å; F203-I208 HydrophobicContact CB-CG1 4.47Å
204P77.3Confident71Confident73 Ų7398.4 Ų98.447%0.47448%0.482SS..  trans-60.7137.7178.924.1-32.9000110.2R206 V207P204-R206 PolarHBondContact O-N 3.01Å; P204-V207 HydrophobicContact CG-CB 4.31Å; P204-V207 HydrophobicContact CG-CG2 3.74Å; P204-V207 PolarHBondContact O-N 3.2Å; P204-V207 VanDerWaalsContact O-N 3.08Å
205K73.7Confident71.4Confident140 Ų14093.3 Ų93.361%0.60946%0.461SS*.Hα-helixtrans-53.3-31.5-178.5-67.1-176.4-179.51790112.3F203 I208 Q209F203-K205 PolarHBondContact O-N 2.61Å; K205-I208 PolarHBondContact O-N 2.94Å; K205-Q209 WeakPolarHBondContact O-CG 3.5Å; K205-Q209 PolarHBondContact O-N 3.42Å
206R74.7Confident71.8Confident210 Ų21088 Ų8879%0.79244%0.435SS*.Hα-helixtrans-60.3-44.4178.9-65-176.7-176.6165.60.8113.1P204 I208 Q209 F210P204-R206 PolarHBondContact O-N 3.01Å; R206-I208 VanDerWaalsContact C-N 3.28Å; R206-I208 PolarHBondContact O-N 2.89Å; R206-Q209 PolarHBondContact O-N 2.94Å; R206-F210 WeakPolarHBondContact O-CB 3.35Å; R206-F210 PolarHBondContact O-N 3.16Å
207V75.5Confident71.9Confident71 Ų7188.4 Ų88.443%0.4344%0.443SS..Hα-helixtrans-65.2-37.6-180172.70000110.5F203 P204 F210 G211F203-V207 HydrophobicContact CD1-CB 4.36Å; F203-V207 HydrophobicContact CD1-CG1 4.01Å; F203-V207 HydrophobicContact CE1-CG1 4.36Å; P204-V207 HydrophobicContact CG-CB 4.31Å; P204-V207 HydrophobicContact CG-CG2 3.74Å; P204-V207 PolarHBondContact O-N 3.2Å; P204-V207 VanDerWaalsContact O-N 3.08Å; V207-F210 PolarHBondContact O-N 3.3Å; V207-G211 PolarHBondContact O-N 2.99Å
208I76.6Confident72.2Confident39 Ų3993.7 Ų93.720%0.248%0.475CS..Hα-helixtrans-72.4-40.3179.1-63.2152.4000111R90 F203 K205 R206 F210 G211 S212R90-I208 HydrophobicContact CB-CD1 3.56Å; R90-I208 HydrophobicContact CG-CD1 3.28Å; F203-I208 HydrophobicContact CB-CD1 4.03Å; F203-I208 HydrophobicContact CB-CG1 4.47Å; K205-I208 PolarHBondContact O-N 2.94Å; R206-I208 VanDerWaalsContact C-N 3.28Å; R206-I208 PolarHBondContact O-N 2.89Å; I208-F210 VanDerWaalsContact C-N 3.34Å; I208-G211 PolarHBondContact O-N 2.8Å; I208-S212 WeakPolarHBondContact O-CB 3.24Å; I208-S212 PolarHBondContact O-N 3.33Å; I208-S212 PolarHBondContact O-OG 2.85Å
209Q77.7Confident72.1Confident110 Ų11091.8 Ų91.851%0.51447%0.466SS..Hα-helixtrans-64.3-39.1173.9-75174.5-1200112K205 R206 S212 K213K205-Q209 WeakPolarHBondContact O-CG 3.5Å; K205-Q209 PolarHBondContact O-N 3.42Å; R206-Q209 PolarHBondContact O-N 2.94Å; Q209-S212 WeakPolarHBondContact CA-OG 3.32Å; Q209-S212 PolarHBondContact O-OG 2.96Å; Q209-K213 WeakPolarHBondContact O-CB 3.28Å; Q209-K213 VanDerWaalsContact O-CG 3.22Å; Q209-K213 WeakPolarHBondContact O-CG 3.13Å; Q209-K213 PolarHBondContact O-N 3.03Å
210F76.6Confident72.3Confident146 Ų14694.6 Ų94.664%0.6447%0.471SS*.Hα-helixtrans-65.7-49.1174.5-174-97.8000110.5R206 V207 I208 S212 K213 V214R206-F210 WeakPolarHBondContact O-CB 3.35Å; R206-F210 PolarHBondContact O-N 3.16Å; V207-F210 PolarHBondContact O-N 3.3Å; I208-F210 VanDerWaalsContact C-N 3.34Å; F210-S212 PolarHBondContact O-N 2.94Å; F210-K213 PolarHBondContact O-N 2.94Å; F210-K213 VanDerWaalsContact O-N 3.13Å; F210-V214 HydrophobicContact CD1-CG2 4.05Å; F210-V214 HydrophobicContact CD2-CG2 4.49Å; F210-V214 HydrophobicContact CE1-CG2 3.68Å; F210-V214 HydrophobicContact CE2-CG2 4.15Å; F210-V214 HydrophobicContact CG-CG2 4.45Å; F210-V214 HydrophobicContact CZ-CG2 3.73Å; F210-V214 WeakPolarHBondContact O-CG2 3.29Å; F210-V214 PolarHBondContact O-N 3.38Å
211G72.7Confident72.3Confident21 Ų2186.7 Ų86.722%0.21645%0.447CS..Hα-helixtrans-56-47.2174.900000112.1V207 I208 K213 V214 I215V207-G211 PolarHBondContact O-N 2.99Å; I208-G211 PolarHBondContact O-N 2.8Å; G211-K213 VanDerWaalsContact C-N 3.32Å; G211-K213 PolarHBondContact O-N 3.03Å; G211-V214 PolarHBondContact O-N 3.09Å; G211-I215 WeakPolarHBondContact O-CA 3.35Å; G211-I215 WeakPolarHBondContact O-CB 3.43Å; G211-I215 VanDerWaalsContact O-CG1 3.3Å; G211-I215 WeakPolarHBondContact O-CG1 2.98Å; G211-I215 PolarHBondContact O-N 3.42Å
212S73Confident72.1Confident64 Ų6488.6 Ų88.645%0.44846%0.463SS..Hα-helixtrans-66.2-32.3178.168.10000112.7I208 Q209 F210 G216I208-S212 WeakPolarHBondContact O-CB 3.24Å; I208-S212 PolarHBondContact O-N 3.33Å; I208-S212 PolarHBondContact O-OG 2.85Å; Q209-S212 WeakPolarHBondContact CA-OG 3.32Å; Q209-S212 PolarHBondContact O-OG 2.96Å; F210-S212 PolarHBondContact O-N 2.94Å; S212-G216 WeakPolarHBondContact O-CA 3.29Å; S212-G216 PolarHBondContact O-N 3.34Å
213K72.4Confident71.8Confident161 Ų16187.5 Ų87.570%0.747%0.465SS*.Hα-helixtrans-72.2-39.7175.2-77.7177.7179.2-171.20112.7Q209 F210 G211 P217Q209-K213 WeakPolarHBondContact O-CB 3.28Å; Q209-K213 VanDerWaalsContact O-CG 3.22Å; Q209-K213 WeakPolarHBondContact O-CG 3.13Å; Q209-K213 PolarHBondContact O-N 3.03Å; F210-K213 PolarHBondContact O-N 2.94Å; F210-K213 VanDerWaalsContact O-N 3.13Å; G211-K213 VanDerWaalsContact C-N 3.32Å; G211-K213 PolarHBondContact O-N 3.03Å; K213-P217 WeakPolarHBondContact O-CD 3.13Å; K213-P217 WeakPolarHBondContact O-CG 3.5Å
214V73.5Confident71.2Confident84 Ų8486.8 Ų86.851%0.50947%0.465SS..Hα-helixtrans-77.1-43.2-179.1174.40000111.2F210 G211F210-V214 HydrophobicContact CD1-CG2 4.05Å; F210-V214 HydrophobicContact CD2-CG2 4.49Å; F210-V214 HydrophobicContact CE1-CG2 3.68Å; F210-V214 HydrophobicContact CE2-CG2 4.15Å; F210-V214 HydrophobicContact CG-CG2 4.45Å; F210-V214 HydrophobicContact CZ-CG2 3.73Å; F210-V214 WeakPolarHBondContact O-CG2 3.29Å; F210-V214 PolarHBondContact O-N 3.38Å; G211-V214 PolarHBondContact O-N 3.09Å
215I70.3Confident70.4Confident58 Ų5892.3 Ų92.330%0.29748%0.481SS..Hα-helixtrans-93.2-32.7-172.4-59.7167.4000111.6T14 C18 G211 V218 L219T14-I215 HydrophobicContact CG2-CG2 3.55Å; C18-I215 WeakPolarHBondContact SG-CG2 3.05Å; G211-I215 WeakPolarHBondContact O-CA 3.35Å; G211-I215 WeakPolarHBondContact O-CB 3.43Å; G211-I215 VanDerWaalsContact O-CG1 3.3Å; G211-I215 WeakPolarHBondContact O-CG1 2.98Å; G211-I215 PolarHBondContact O-N 3.42Å; I215-V218 PolarHBondContact O-N 2.95Å; I215-V218 VanDerWaalsContact O-N 3.09Å; I215-L219 HydrophobicContact CG2-CB 3.83Å; I215-L219 HydrophobicContact CG2-CD2 4.13Å; I215-L219 WeakPolarHBondContact O-CB 3.32Å; I215-L219 PolarHBondContact O-N 2.66Å
216G67.6Low69.8Low4 Ų490.2 Ų90.24%0.04147%0.47CS..Hα-helixtrans-49.6-50.2-178.200000113.1S212 V218 L219 E220S212-G216 WeakPolarHBondContact O-CA 3.29Å; S212-G216 PolarHBondContact O-N 3.34Å; G216-V218 VanDerWaalsContact C-N 3.29Å; G216-V218 PolarHBondContact O-N 3.08Å; G216-L219 PolarHBondContact O-N 3.07Å; G216-E220 WeakPolarHBondContact O-CB 3.41Å; G216-E220 WeakPolarHBondContact O-CG 3.46Å; G216-E220 PolarHBondContact O-N 3.45Å
217P68Low68.9Low106 Ų10683.2 Ų83.269%0.68845%0.448SS*.Hα-helixtrans-59.6-36.6179.9-24.233.3000114.1K213K213-P217 WeakPolarHBondContact O-CD 3.13Å; K213-P217 WeakPolarHBondContact O-CG 3.5Å
218V68.9Low68.1Low119 Ų11986.5 Ų86.572%0.72146%0.463SS*.Hα-helixtrans-84.2-30-175.6-178.10000111.3I215 G216I215-V218 PolarHBondContact O-N 2.95Å; I215-V218 VanDerWaalsContact O-N 3.09Å; G216-V218 VanDerWaalsContact C-N 3.29Å; G216-V218 PolarHBondContact O-N 3.08Å
219L67.4Low67.1Low31 Ų3192 Ų9216%0.16249%0.485CS..Hα-helixtrans-123.9-11.2-163.2-121.175.5000115.9T14 K17 C18 I215 G216 T221T14-L219 HydrophobicContact CG2-CB 4.32Å; T14-L219 HydrophobicContact CG2-CD2 4.42Å; K17-L219 HydrophobicContact CB-CD2 3.93Å; K17-L219 HydrophobicContact CD-CD2 3.77Å; K17-L219 HydrophobicContact CD-CG 3.74Å; K17-L219 HydrophobicContact CG-CD2 3.72Å; K17-L219 HydrophobicContact CG-CG 4.16Å; K17-L219 PolarHBondContact NZ-O 3.39Å; C18-L219 HydrophobicContact CB-CD2 4.31Å; C18-L219 WeakPolarHBondContact SG-CD2 3.41Å; I215-L219 HydrophobicContact CG2-CB 3.83Å; I215-L219 HydrophobicContact CG2-CD2 4.13Å; I215-L219 WeakPolarHBondContact O-CB 3.32Å; I215-L219 PolarHBondContact O-N 2.66Å; G216-L219 PolarHBondContact O-N 3.07Å; L219-T221 PolarHBondContact O-N 3.4Å
220E67.4Low66Low143 Ų14390.2 Ų90.267%0.66848%0.484SS*.  trans-59.2107175.2-86.7176.9164.500110.1G216G216-E220 WeakPolarHBondContact O-CB 3.41Å; G216-E220 WeakPolarHBondContact O-CG 3.46Å; G216-E220 PolarHBondContact O-N 3.45Å
221T68.2Low65.1Low55 Ų5588.2 Ų88.234%0.33748%0.479SS..PPolyproline II helixtrans-75.1127.3170.6-66.20000107.8K17 L219K17-T221 PolarHBondContact NZ-OG1 3.26Å; L219-T221 PolarHBondContact O-N 3.4Å
222P66.4Low64.4Low107 Ų10789.1 Ų89.170%0.69549%0.489SS*.PPolyproline II helixtrans-57150.6-179.122.4-33.5000111.1
223A66.1Low63.7Low52 Ų5289 Ų8943%0.4349%0.491SS..PPolyproline II helixtrans-57.2129.3173.500000109.6Y11 K225 I227Y11-A223 VanDerWaalsContact CE2-CA 3.42Å; Y11-A223 HydrophobicContact CE2-CB 3.94Å; A223-K225 PolarHBondContact O-N 3.28Å; A223-I227 HydrophobicContact CB-CD1 4.39Å
224P62.4Low63.4Low29 Ų2984.6 Ų84.619%0.18848%0.478CS..PPolyproline II helixtrans-63137.9179.823.6-32.8000110.2Y226 I227P224-Y226 HydrophobicContact CB-CD1 3.66Å; P224-Y226 HydrophobicContact CB-CE1 3.26Å; P224-Y226 HydrophobicContact CG-CD1 4.14Å; P224-Y226 HydrophobicContact CG-CE1 3.4Å; P224-Y226 VanDerWaalsContact CG-CE1 3.4Å; P224-Y226 HydrophobicContact CG-CE2 4.17Å; P224-Y226 WeakPolarHBondContact CG-OH 3.06Å; P224-Y226 PolarHBondContact O-N 3.02Å; P224-I227 HydrophobicContact CG-CD1 3.71Å; P224-I227 HydrophobicContact CG-CG1 3.99Å; P224-I227 PolarHBondContact O-N 3.18Å
225K59.9Low63Low189 Ų18984.5 Ų84.582%0.82247%0.474SS*.G310 helixtrans-53.5-24.4-172.8-71.3-175.5179.4-178.70114.3A223 I227 N228A223-K225 PolarHBondContact O-N 3.28Å; K225-I227 VanDerWaalsContact C-N 3.3Å; K225-I227 PolarHBondContact O-N 3.08Å; K225-N228 PolarHBondContact O-N 2.9Å
226Y60.2Low63.1Low95 Ų9588 Ų8837%0.37349%0.489SS..G310 helixtrans-71.1-19.8178.168.4-103.5000113.7H7 P224 N228 K229H7-Y226 WeakPolarHBondContact CA-OH 3.47Å; H7-Y226 PolarHBondContact ND1-OH 2.94Å; P224-Y226 HydrophobicContact CB-CD1 3.66Å; P224-Y226 HydrophobicContact CB-CE1 3.26Å; P224-Y226 HydrophobicContact CG-CD1 4.14Å; P224-Y226 HydrophobicContact CG-CE1 3.4Å; P224-Y226 VanDerWaalsContact CG-CE1 3.4Å; P224-Y226 HydrophobicContact CG-CE2 4.17Å; P224-Y226 WeakPolarHBondContact CG-OH 3.06Å; P224-Y226 PolarHBondContact O-N 3.02Å; Y226-N228 PolarHBondContact O-N 2.79Å; Y226-K229 PolarHBondContact O-N 2.99Å; Y226-K229 VanDerWaalsContact O-N 3.08Å
227I56.8Low63.4Low63 Ų6392 Ų9232%0.32351%0.512SS..G310 helixtrans-65.6-31.2176.2-64176.1000110.3Y11 A223 P224 K225 K229Y11-I227 HydrophobicContact CE1-CD1 3.72Å; A223-I227 HydrophobicContact CB-CD1 4.39Å; P224-I227 HydrophobicContact CG-CD1 3.71Å; P224-I227 HydrophobicContact CG-CG1 3.99Å; P224-I227 PolarHBondContact O-N 3.18Å; K225-I227 VanDerWaalsContact C-N 3.3Å; K225-I227 PolarHBondContact O-N 3.08Å; I227-K229 VanDerWaalsContact C-N 3.3Å
228N57.5Low63.8Low141 Ų14191.6 Ų91.675%0.75450%0.502SS*.G310 helixtrans-80.1-13.3175.5-63.3-9.4000112.6K225 Y226K225-N228 PolarHBondContact O-N 2.9Å; Y226-N228 PolarHBondContact O-N 2.79Å
229K55.7Low64.3Low153 Ų15393.7 Ų93.767%0.66550%0.496SS*.SBendtrans-84.6130.3166.3-73.3-176.8175-175.30106.7Y226 I227 L231Y226-K229 PolarHBondContact O-N 2.99Å; Y226-K229 VanDerWaalsContact O-N 3.08Å; I227-K229 VanDerWaalsContact C-N 3.3Å; K229-L231 PolarHBondContact O-N 3.34Å
230P56Low65.1Low74 Ų7498.1 Ų98.148%0.48152%0.516SS..PPolyproline II helixtrans-51.1125.1171.621.4-30.8000107.8G232 L235P230-G232 PolarHBondContact O-N 3.45Å; P230-L235 HydrophobicContact CG-CD1 4.04Å
231L56.9Low65.9Low104 Ų10494.5 Ų94.555%0.54550%0.504SS..PPolyproline II helixtrans-47.9139.8-179.2-107.275.5000108.3K229 A233 T234 L235K229-L231 PolarHBondContact O-N 3.34Å; L231-A233 CarbonylContact O-C 3.57Å; L231-A233 PolarHBondContact O-N 2.74Å; L231-T234 PolarHBondContact N-OG1 3.08Å; L231-T234 WeakPolarHBondContact O-CA 3.11Å; L231-T234 PolarHBondContact O-N 2.66Å; L231-T234 PolarHBondContact O-OG1 2.98Å; L231-L235 PolarHBondContact O-N 3.03Å; L231-L235 VanDerWaalsContact O-N 3.08Å
232G57.3Low66.7Low40 Ų4096.9 Ų96.941%0.41251%0.511SS..Hα-helixtrans-47.2-34.7179.400000112.4P230 T234 L235 E236P230-G232 PolarHBondContact O-N 3.45Å; G232-T234 PolarHBondContact O-N 2.94Å; G232-L235 CarbonylContact O-C 3.44Å; G232-L235 PolarHBondContact O-N 3.22Å; G232-E236 WeakPolarHBondContact O-CA 2.96Å; G232-E236 WeakPolarHBondContact O-CB 3.24Å; G232-E236 WeakPolarHBondContact O-CG 3.07Å; G232-E236 PolarHBondContact O-N 2.75Å
233A58.7Low68Low60 Ų6096 Ų9650%0.49650%0.5SS..Hα-helixtrans-59.9-42.9172.800000113.8L231 V237L231-A233 CarbonylContact O-C 3.57Å; L231-A233 PolarHBondContact O-N 2.74Å; A233-V237 WeakPolarHBondContact O-CB 3.44Å; A233-V237 WeakPolarHBondContact O-CG2 3.09Å; A233-V237 PolarHBondContact O-N 2.83Å
234T65.7Low69.2Low70 Ų7097 Ų9743%0.42950%0.498SS..Hα-helixtrans-71.5-33.9173.327.90000112.3L231 G232 Q238L231-T234 PolarHBondContact N-OG1 3.08Å; L231-T234 WeakPolarHBondContact O-CA 3.11Å; L231-T234 PolarHBondContact O-N 2.66Å; L231-T234 PolarHBondContact O-OG1 2.98Å; G232-T234 PolarHBondContact O-N 2.94Å; T234-Q238 WeakPolarHBondContact O-CA 3.49Å; T234-Q238 WeakPolarHBondContact O-CB 3.47Å; T234-Q238 WeakPolarHBondContact O-CG 3.46Å; T234-Q238 PolarHBondContact O-N 3.4Å
235L65.6Low70.6Confident81 Ų81101.6 Ų101.642%0.42452%0.517SS..Hα-helixtrans-73.1-37.8177-159.688.7000112.3P230 L231 G232 Q238 R239P230-L235 HydrophobicContact CG-CD1 4.04Å; L231-L235 PolarHBondContact O-N 3.03Å; L231-L235 VanDerWaalsContact O-N 3.08Å; G232-L235 CarbonylContact O-C 3.44Å; G232-L235 PolarHBondContact O-N 3.22Å; L235-Q238 PolarHBondContact O-N 3.29Å; L235-R239 WeakPolarHBondContact O-CB 3.1Å; L235-R239 PolarHBondContact O-N 3.49Å
236E71.8Confident72.2Confident132 Ų132100.2 Ų100.262%0.61751%0.507SS*.Hα-helixtrans-67.1-47.1173.4-74163.6-160.100109.4G232 Q238 R239 Q240G232-E236 WeakPolarHBondContact O-CA 2.96Å; G232-E236 WeakPolarHBondContact O-CB 3.24Å; G232-E236 WeakPolarHBondContact O-CG 3.07Å; G232-E236 PolarHBondContact O-N 2.75Å; E236-Q238 VanDerWaalsContact C-N 3.34Å; E236-Q238 PolarHBondContact O-N 2.79Å; E236-R239 PolarHBondContact O-N 3.49Å; E236-Q240 VanDerWaalsContact O-CB 3.23Å; E236-Q240 WeakPolarHBondContact O-CB 3.33Å; E236-Q240 PolarHBondContact O-N 3.31Å
237V73.9Confident73.8Confident87 Ų87101.1 Ų101.153%0.52751%0.514SS..Hα-helixtrans-62.2-42.3173.2169.30000110.5A233 Q240 V241A233-V237 WeakPolarHBondContact O-CB 3.44Å; A233-V237 WeakPolarHBondContact O-CG2 3.09Å; A233-V237 PolarHBondContact O-N 2.83Å; V237-Q240 PolarHBondContact O-N 2.83Å; V237-V241 HydrophobicContact CG1-CG2 4.31Å; V237-V241 WeakPolarHBondContact O-CB 3.21Å; V237-V241 WeakPolarHBondContact O-CG2 3.48Å; V237-V241 PolarHBondContact O-N 3.33Å
238Q76.7Confident75.6Confident99 Ų99102.6 Ų102.646%0.46352%0.522SS..Hα-helixtrans-63-45.4175-81.7170.8-16.200111.3T234 L235 E236 Q240 V241 E242T234-Q238 WeakPolarHBondContact O-CA 3.49Å; T234-Q238 WeakPolarHBondContact O-CB 3.47Å; T234-Q238 WeakPolarHBondContact O-CG 3.46Å; T234-Q238 PolarHBondContact O-N 3.4Å; L235-Q238 PolarHBondContact O-N 3.29Å; E236-Q238 VanDerWaalsContact C-N 3.34Å; E236-Q238 PolarHBondContact O-N 2.79Å; Q238-Q240 VanDerWaalsContact C-N 3.28Å; Q238-Q240 PolarHBondContact O-N 3.4Å; Q238-V241 PolarHBondContact O-N 2.79Å; Q238-E242 WeakPolarHBondContact O-CB 3.19Å; Q238-E242 WeakPolarHBondContact O-CG 3.4Å; Q238-E242 PolarHBondContact O-N 2.85Å
239R80.9Confident77.3Confident163 Ų16399 Ų9962%0.61551%0.508SS*.Hα-helixtrans-63.2-36.8177.1-173.2-179.6-69.5-172.6-2.5111.5L235 E236 L243L235-R239 WeakPolarHBondContact O-CB 3.1Å; L235-R239 PolarHBondContact O-N 3.49Å; E236-R239 PolarHBondContact O-N 3.49Å; R239-L243 HydrophobicContact CG-CD1 4.48Å; R239-L243 VanDerWaalsContact O-CG 3.28Å; R239-L243 WeakPolarHBondContact O-CG 3.46Å; R239-L243 PolarHBondContact O-N 3.5Å
240Q83.4Confident79.2Confident123 Ų12397 Ų9758%0.57550%0.504SS*.Hα-helixtrans-70.5-44.2177.1-166.1154.5-1000111E236 V237 Q238 E242 L243 D244E236-Q240 VanDerWaalsContact O-CB 3.23Å; E236-Q240 WeakPolarHBondContact O-CB 3.33Å; E236-Q240 PolarHBondContact O-N 3.31Å; V237-Q240 PolarHBondContact O-N 2.83Å; Q238-Q240 VanDerWaalsContact C-N 3.28Å; Q238-Q240 PolarHBondContact O-N 3.4Å; Q240-E242 VanDerWaalsContact C-N 3.31Å; Q240-E242 PolarHBondContact O-N 3.34Å; Q240-L243 PolarHBondContact O-N 2.89Å; Q240-D244 WeakPolarHBondContact O-CB 3.23Å; Q240-D244 PolarHBondContact O-N 3.02Å
241V83.1Confident80.9Confident67 Ų6798.7 Ų98.741%0.40651%0.508SS..Hα-helixtrans-60.4-39.3172.8170.60000111.7V237 Q238 Q245V237-V241 HydrophobicContact CG1-CG2 4.31Å; V237-V241 WeakPolarHBondContact O-CB 3.21Å; V237-V241 WeakPolarHBondContact O-CG2 3.48Å; V237-V241 PolarHBondContact O-N 3.33Å; Q238-V241 PolarHBondContact O-N 2.79Å; V241-Q245 WeakPolarHBondContact O-CB 3.25Å; V241-Q245 VanDerWaalsContact O-CG 3.25Å; V241-Q245 WeakPolarHBondContact O-CG 3.44Å; V241-Q245 PolarHBondContact O-N 3.33Å
242E85.8Confident82.5Confident106 Ų10698 Ų9850%0.49550%0.501SS..Hα-helixtrans-66-39.6175.3-76.8175.9-166.500112.6Q238 Q240 R246Q238-E242 WeakPolarHBondContact O-CB 3.19Å; Q238-E242 WeakPolarHBondContact O-CG 3.4Å; Q238-E242 PolarHBondContact O-N 2.85Å; Q240-E242 VanDerWaalsContact C-N 3.31Å; Q240-E242 PolarHBondContact O-N 3.34Å; E242-R246 WeakPolarHBondContact O-CG 3.21Å; E242-R246 PolarHBondContact O-N 3.17Å; E242-R246 VanDerWaalsContact O-N 3.13Å
243L92.9Very high84.1Confident88 Ų8898.2 Ų98.246%0.46150%0.5SS..Hα-helixtrans-66.8-46.2174.9-73.4170.6000110.9R239 Q240 Q245 R246 E247R239-L243 HydrophobicContact CG-CD1 4.48Å; R239-L243 VanDerWaalsContact O-CG 3.28Å; R239-L243 WeakPolarHBondContact O-CG 3.46Å; R239-L243 PolarHBondContact O-N 3.5Å; Q240-L243 PolarHBondContact O-N 2.89Å; L243-Q245 VanDerWaalsContact C-N 3.28Å; L243-Q245 PolarHBondContact O-N 2.84Å; L243-R246 WeakPolarHBondContact O-CB 3.37Å; L243-R246 PolarHBondContact O-N 3Å; L243-E247 WeakPolarHBondContact O-CG 3.28Å; L243-E247 PolarHBondContact O-N 3.49Å
244D92Very high85.6Confident74 Ų7499.4 Ų99.440%0.39650%0.501SS..Hα-helixtrans-58.2-41.3177-65.8-14.8000110.9Q240 R246 E247 I248Q240-D244 WeakPolarHBondContact O-CB 3.23Å; Q240-D244 PolarHBondContact O-N 3.02Å; D244-R246 PolarHBondContact O-N 3.13Å; D244-E247 PolarHBondContact O-N 3.06Å; D244-I248 WeakPolarHBondContact O-CD1 3.35Å; D244-I248 WeakPolarHBondContact O-CG1 3.48Å; D244-I248 PolarHBondContact O-N 2.96Å
245Q92.7Very high86.5Confident124 Ų124105.2 Ų105.258%0.57952%0.515SS*.Hα-helixtrans-63.1-41.3175.1-77.9177.3-0.100112.6V241 L243 I248 S249V241-Q245 WeakPolarHBondContact O-CB 3.25Å; V241-Q245 VanDerWaalsContact O-CG 3.25Å; V241-Q245 WeakPolarHBondContact O-CG 3.44Å; V241-Q245 PolarHBondContact O-N 3.33Å; L243-Q245 VanDerWaalsContact C-N 3.28Å; L243-Q245 PolarHBondContact O-N 2.84Å; Q245-I248 PolarHBondContact O-N 3.49Å; Q245-S249 PolarHBondContact O-N 3.38Å
246R93.3Very high87.5Confident160 Ų160109.2 Ų109.260%0.60452%0.524SS*.Hα-helixtrans-64.8-44175.7-72.4176.3-174.6-173.43.6110.8E242 L243 D244 I248 S249 L250E242-R246 WeakPolarHBondContact O-CG 3.21Å; E242-R246 PolarHBondContact O-N 3.17Å; E242-R246 VanDerWaalsContact O-N 3.13Å; L243-R246 WeakPolarHBondContact O-CB 3.37Å; L243-R246 PolarHBondContact O-N 3Å; D244-R246 PolarHBondContact O-N 3.13Å; R246-I248 PolarHBondContact O-N 3.47Å; R246-S249 PolarHBondContact O-N 3.41Å; R246-S249 PolarHBondContact O-OG 2.91Å; R246-L250 WeakPolarHBondContact O-CG 3.28Å; R246-L250 PolarHBondContact O-N 3.03Å
247E93.4Very high88.1Confident115 Ų115108.6 Ų108.654%0.53752%0.523SS..Hα-helixtrans-60.3-45.3176.3-72.7-175.6-176.400111.6L243 D244 S249 L250 I251L243-E247 WeakPolarHBondContact O-CG 3.28Å; L243-E247 PolarHBondContact O-N 3.49Å; D244-E247 PolarHBondContact O-N 3.06Å; E247-S249 VanDerWaalsContact C-N 3.34Å; E247-S249 PolarHBondContact O-N 2.86Å; E247-L250 PolarHBondContact O-N 3.24Å; E247-I251 VanDerWaalsContact O-CG1 3.28Å; E247-I251 WeakPolarHBondContact O-CG1 3.48Å; E247-I251 PolarHBondContact O-N 3.38Å
248I94.4Very high88.4Confident93 Ų93109.9 Ų109.948%0.47752%0.523SS..Hα-helixtrans-59.4-44.7175.9-68.8163.8000110.9D244 Q245 R246 L250 I251 E252D244-I248 WeakPolarHBondContact O-CD1 3.35Å; D244-I248 WeakPolarHBondContact O-CG1 3.48Å; D244-I248 PolarHBondContact O-N 2.96Å; Q245-I248 PolarHBondContact O-N 3.49Å; R246-I248 PolarHBondContact O-N 3.47Å; I248-L250 VanDerWaalsContact C-N 3.3Å; I248-L250 PolarHBondContact O-N 2.9Å; I248-I251 PolarHBondContact O-N 3.21Å; I248-E252 WeakPolarHBondContact O-CG 3.46Å; I248-E252 PolarHBondContact O-N 3.25Å
249S93.1Very high88.4Confident65 Ų65108.5 Ų108.546%0.45552%0.524SS..Hα-helixtrans-63.3-36.5179.474.60000112.6Q245 R246 E247 E252 A253Q245-S249 PolarHBondContact O-N 3.38Å; R246-S249 PolarHBondContact O-N 3.41Å; R246-S249 PolarHBondContact O-OG 2.91Å; E247-S249 VanDerWaalsContact C-N 3.34Å; E247-S249 PolarHBondContact O-N 2.86Å; S249-E252 PolarHBondContact O-N 2.87Å; S249-A253 WeakPolarHBondContact O-CB 3.35Å; S249-A253 PolarHBondContact O-N 3.01Å
250L95.3Very high87.9Confident113 Ų113111 Ų11159%0.59253%0.534SS*.Hα-helixtrans-70.6-39.7175.8-69.5171.6000111.7R246 E247 I248 E252 A253 T254R246-L250 WeakPolarHBondContact O-CG 3.28Å; R246-L250 PolarHBondContact O-N 3.03Å; E247-L250 PolarHBondContact O-N 3.24Å; I248-L250 VanDerWaalsContact C-N 3.3Å; I248-L250 PolarHBondContact O-N 2.9Å; L250-E252 VanDerWaalsContact C-N 3.34Å; L250-A253 PolarHBondContact O-N 2.81Å; L250-T254 WeakPolarHBondContact O-CB 3.35Å; L250-T254 PolarHBondContact O-N 3.29Å; L250-T254 PolarHBondContact O-OG1 2.85Å
251I91.6Very high87.4Confident109 Ų109111 Ų11156%0.55954%0.537SS*.Hα-helixtrans-63.2-43.9174.5-68.8164.6000109.9E247 I248 T254 R255E247-I251 VanDerWaalsContact O-CG1 3.28Å; E247-I251 WeakPolarHBondContact O-CG1 3.48Å; E247-I251 PolarHBondContact O-N 3.38Å; I248-I251 PolarHBondContact O-N 3.21Å; I251-T254 PolarHBondContact O-N 2.71Å; I251-R255 VanDerWaalsContact O-CB 3.23Å; I251-R255 WeakPolarHBondContact O-CB 3.23Å; I251-R255 PolarHBondContact O-N 3.44Å
252E91.2Very high86.6Confident88 Ų88114.2 Ų114.241%0.41155%0.546SS..Hα-helixtrans-63.7-43.3175.7-76.4-170.9-157.700112.4I248 S249 L250 R255 R256I248-E252 WeakPolarHBondContact O-CG 3.46Å; I248-E252 PolarHBondContact O-N 3.25Å; S249-E252 PolarHBondContact O-N 2.87Å; L250-E252 VanDerWaalsContact C-N 3.34Å; E252-R255 PolarHBondContact O-N 2.79Å; E252-R256 WeakPolarHBondContact O-CB 3.32Å; E252-R256 VanDerWaalsContact O-CG 3.29Å; E252-R256 WeakPolarHBondContact O-CG 3.29Å; E252-R256 PolarHBondContact O-N 2.71Å; E252-R256 IonicContact OE2-NH2 2.69Å; E252-R256 PolarHBondContact OE2-NH2 2.94Å
253A91.8Very high85.4Confident45 Ų45113.8 Ų113.837%0.37255%0.553SS.*Hα-helixtrans-61.8-46.3176.500000111.1S249 L250 R255 R256 M257S249-A253 WeakPolarHBondContact O-CB 3.35Å; S249-A253 PolarHBondContact O-N 3.01Å; L250-A253 PolarHBondContact O-N 2.81Å; A253-R255 VanDerWaalsContact C-N 3.33Å; A253-R255 PolarHBondContact O-N 3.46Å; A253-R256 PolarHBondContact O-N 2.85Å; A253-M257 WeakPolarHBondContact O-CG 3.41Å; A253-M257 PolarHBondContact O-N 3.18Å
254T89.5Confident83.8Confident85 Ų85117.9 Ų117.952%0.52157%0.567SS.*Hα-helixtrans-60.5-42.4174.6-52.50000111.1L250 I251 M257 H258L250-T254 WeakPolarHBondContact O-CB 3.35Å; L250-T254 PolarHBondContact O-N 3.29Å; L250-T254 PolarHBondContact O-OG1 2.85Å; I251-T254 PolarHBondContact O-N 2.71Å; T254-M257 PolarHBondContact O-N 2.84Å; T254-H258 WeakPolarHBondContact O-CB 3.43Å; T254-H258 PolarHBondContact O-N 3.39Å
255R85.1Confident82.1Confident192 Ų192118.5 Ų118.573%0.72557%0.57SS**Hα-helixtrans-64.6-41.1177.7-165.1-178.9-149.8-1797.1111.9I251 E252 A253 H258 S259I251-R255 VanDerWaalsContact O-CB 3.23Å; I251-R255 WeakPolarHBondContact O-CB 3.23Å; I251-R255 PolarHBondContact O-N 3.44Å; E252-R255 PolarHBondContact O-N 2.79Å; A253-R255 VanDerWaalsContact C-N 3.33Å; A253-R255 PolarHBondContact O-N 3.46Å; R255-H258 PolarHBondContact O-N 3.27Å; R255-S259 WeakPolarHBondContact O-CB 3.43Å; R255-S259 PolarHBondContact O-N 3.42Å; R255-S259 PolarHBondContact O-OG 2.76Å
256R85.2Confident80.3Confident166 Ų166118.9 Ų118.963%0.62657%0.574SS**Hα-helixtrans-64.7-43.8175.8-72.5176.3-160.3178.29.4111.3E252 A253 S259 R260E252-R256 WeakPolarHBondContact O-CB 3.32Å; E252-R256 VanDerWaalsContact O-CG 3.29Å; E252-R256 WeakPolarHBondContact O-CG 3.29Å; E252-R256 PolarHBondContact O-N 2.71Å; E252-R256 IonicContact OE2-NH2 2.69Å; E252-R256 PolarHBondContact OE2-NH2 2.94Å; A253-R256 PolarHBondContact O-N 2.85Å; R256-S259 WeakPolarHBondContact CA-OG 3.48Å; R256-S259 PolarHBondContact O-N 3.08Å; R256-S259 PolarHBondContact O-OG 2.73Å; R256-R260 WeakPolarHBondContact O-CB 3.37Å; R256-R260 PolarHBondContact O-N 2.82Å; R256-R260 VanDerWaalsContact O-N 3.11Å
257M84.6Confident78.6Confident119 Ų119114.6 Ų114.659%0.58657%0.568SS**Hα-helixtrans-61.1-49.4173.6-70.4-163.4-69.500111.2A253 T254 S259 R260 D261A253-M257 WeakPolarHBondContact O-CG 3.41Å; A253-M257 PolarHBondContact O-N 3.18Å; T254-M257 PolarHBondContact O-N 2.84Å; M257-S259 VanDerWaalsContact C-N 3.34Å; M257-S259 PolarHBondContact O-N 2.6Å; M257-R260 WeakPolarHBondContact O-CA 3.32Å; M257-R260 WeakPolarHBondContact O-CB 3.47Å; M257-R260 PolarHBondContact O-N 3.11Å; M257-D261 PolarHBondContact O-N 3.38Å
258H80Confident76.6Confident113 Ų113118.9 Ų118.952%0.52358%0.58SS.*Hα-helixtrans-61-40178.9-170.271.4000112.9T254 R255 R260 D261 F262T254-H258 WeakPolarHBondContact O-CB 3.43Å; T254-H258 PolarHBondContact O-N 3.39Å; R255-H258 PolarHBondContact O-N 3.27Å; H258-R260 PolarHBondContact O-N 3.36Å; H258-D261 PolarHBondContact O-N 3.39Å; H258-F262 AromaticContact CE1-CD2 3.43Å; H258-F262 VanDerWaalsContact CE1-CD2 3.43Å; H258-F262 WeakPolarHBondContact CE1-CD2 3.34Å; H258-F262 AromaticContact CE1-CE2 3.59Å; H258-F262 AromaticContact ND1-CD2 3.76Å; H258-F262 AromaticContact ND1-CE2 3.99Å; H258-F262 AromaticContact NE2-CD2 3.92Å; H258-F262 PolarHBondContact O-N 2.96Å
259S77.4Confident74.7Confident71 Ų71119.5 Ų119.550%0.49759%0.587SS.*Hα-helixtrans-67.9-21.8174.7670000113.9R255 R256 M257 F262R255-S259 WeakPolarHBondContact O-CB 3.43Å; R255-S259 PolarHBondContact O-N 3.42Å; R255-S259 PolarHBondContact O-OG 2.76Å; R256-S259 WeakPolarHBondContact CA-OG 3.48Å; R256-S259 PolarHBondContact O-N 3.08Å; R256-S259 PolarHBondContact O-OG 2.73Å; M257-S259 VanDerWaalsContact C-N 3.34Å; M257-S259 PolarHBondContact O-N 2.6Å; S259-F262 CarbonylContact O-C 3.32Å; S259-F262 VanDerWaalsContact O-C 3.32Å; S259-F262 VanDerWaalsContact O-O 3.09Å
260R70.9Confident72.9Confident215 Ų215123 Ų12381%0.81160%0.6SS**Hα-helixtrans-83-38.5176.8-166.9178.9-177.7177.20.1111.4R256 M257 H258R256-R260 WeakPolarHBondContact O-CB 3.37Å; R256-R260 PolarHBondContact O-N 2.82Å; R256-R260 VanDerWaalsContact O-N 3.11Å; M257-R260 WeakPolarHBondContact O-CA 3.32Å; M257-R260 WeakPolarHBondContact O-CB 3.47Å; M257-R260 PolarHBondContact O-N 3.11Å; H258-R260 PolarHBondContact O-N 3.36Å
261D72.5Confident71Confident122 Ų122123.2 Ų123.265%0.65261%0.606SS**Hα-helixtrans-72.8-33.7175.7-66.4-24000111.9M257 H258 P263M257-D261 PolarHBondContact O-N 3.38Å; H258-D261 PolarHBondContact O-N 3.39Å; D261-P263 WeakPolarHBondContact O-CD 3.46Å
262F66.3Low69.1Low136 Ų136120.9 Ų120.960%0.59661%0.608SS**SBendtrans-11680171.3-63.7-83.6000109.3H258 S259 F264H258-F262 AromaticContact CE1-CD2 3.43Å; H258-F262 VanDerWaalsContact CE1-CD2 3.43Å; H258-F262 WeakPolarHBondContact CE1-CD2 3.34Å; H258-F262 AromaticContact CE1-CE2 3.59Å; H258-F262 AromaticContact ND1-CD2 3.76Å; H258-F262 AromaticContact ND1-CE2 3.99Å; H258-F262 AromaticContact NE2-CD2 3.92Å; H258-F262 PolarHBondContact O-N 2.96Å; S259-F262 CarbonylContact O-C 3.32Å; S259-F262 VanDerWaalsContact O-C 3.32Å; S259-F262 VanDerWaalsContact O-O 3.09Å; F262-F264 VanDerWaalsContact C-N 3.34Å; F262-F264 PolarHBondContact O-N 2.98Å
263P61Low67.1Low96 Ų96124 Ų12462%0.62363%0.628SS**  trans-59.3106.4168.225.8-31.2000106.3D261 N265D261-P263 WeakPolarHBondContact O-CD 3.46Å; P263-N265 PolarHBondContact O-N 3.35Å
264F59.5Low64.9Low174 Ų174134.2 Ų134.276%0.76367%0.668SS**  trans-61.994169.9-168.8-91.9000105.6F262 M266F262-F264 VanDerWaalsContact C-N 3.34Å; F262-F264 PolarHBondContact O-N 2.98Å; F264-M266 HydrophobicContact CD1-CB 4.48Å; F264-M266 PolarHBondContact O-N 2.94Å
265N55.6Low63.6Low87 Ų87136.7 Ų136.747%0.46568%0.675SS.*  trans-74.281.3-172-165.314.8000108.1P263 S267 R268P263-N265 PolarHBondContact O-N 3.35Å; N265-S267 PolarHBondContact O-N 3.47Å; N265-S267 VanDerWaalsContact O-N 3.08Å; N265-S267 PolarHBondContact OD1-OG 3.43Å; N265-R268 PolarHBondContact O-N 2.84Å
266M55.1Low62.5Low133 Ų133133.7 Ų133.766%0.65567%0.673SS**Hα-helixtrans-60.9-17.8-179.7-158.6157.4162.800111.5F264F264-M266 HydrophobicContact CD1-CB 4.48Å; F264-M266 PolarHBondContact O-N 2.94Å
267S56.7Low61.2Low69 Ų69131.9 Ų131.948%0.48368%0.675SS.*Hα-helixtrans-70.8-25.3172.469.60000114N265 V271N265-S267 PolarHBondContact O-N 3.47Å; N265-S267 VanDerWaalsContact O-N 3.08Å; N265-S267 PolarHBondContact OD1-OG 3.43Å; S267-V271 WeakPolarHBondContact O-CG2 3.35Å; S267-V271 PolarHBondContact O-N 3Å
268R52.3Low59.9Low206 Ų206132.7 Ų132.778%0.77768%0.681SS**Hα-helixtrans-77.7-24.8175.1-101.2-170.1-173.3178.32.5113.8N265N265-R268 PolarHBondContact O-N 2.84Å
269V54.4Low58.6Low106 Ų106133.9 Ų133.964%0.64269%0.69SS**Hα-helixtrans-79.8-29.7177.81800000111.3
270L54.2Low57.3Low137 Ų137138.1 Ų138.172%0.71770%0.703SS**Hα-helixtrans-86.5-18.1179.2-67.4176.4000114.5
271V56.3Low56.4Low119 Ų119132.6 Ų132.672%0.72170%0.696SS**THydrogen-bonded Turntrans-93.6-1.9177.6-178.30000112.6S267 N273S267-V271 WeakPolarHBondContact O-CG2 3.35Å; S267-V271 PolarHBondContact O-N 3Å; V271-N273 VanDerWaalsContact C-N 3.27Å; V271-N273 PolarHBondContact O-N 3.37Å
272G52Low55.1Low59 Ų59133.5 Ų133.561%0.60870%0.699SS**THydrogen-bonded Turntrans-81.86.3174.200000115.5
273N48.7Very low54.2Low153 Ų153133.3 Ų133.382%0.81871%0.707SS**  trans-131.354.2-176.2-115.618.1000111.7V271V271-N273 VanDerWaalsContact C-N 3.27Å; V271-N273 PolarHBondContact O-N 3.37Å
274Q44.9Very low53.6Low260 Ų260136.6 Ų136.6100%1.21572%0.715SS**  trans-145.10152.2-79.9-158.9-33.200108.2

Retrieved 274 of 274 residues in 243.1 ms (Link to these results)

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